13,13-dimethyl-N-pyridin-3-yl-N-pyridin-4-yl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-amine

C31H24N4 — CID 70893337

IUPAC13,13-dimethyl-N-pyridin-3-yl-N-pyridin-4-yl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-amine
SMILESCC1(C)c2ccccc2-n2c3ccc(N(c4ccncc4)c4cccnc4)cc3c3cccc1c32
InChIInChI=1S/C31H24N4/c1-31(2)26-9-3-4-11-29(26)35-28-13-12-22(19-25(28)24-8-5-10-27(31)30(24)35)34(21-14-17-32-18-15-21)23-7-6-16-33-20-23/h3-20H,1-2H3
InChIKeyXVUQVIMLLJVDHM-UHFFFAOYSA-N
MW452.56 g/mol
LogP7.68
Rot. Bonds3

About 13,13-dimethyl-N-pyridin-3-yl-N-pyridin-4-yl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-amine

13,13-dimethyl-N-pyridin-3-yl-N-pyridin-4-yl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-amine (PubChem CID 70893337) has the molecular formula C31H24N4 and a molecular weight of 452.56 g/mol. Its IUPAC name is 13,13-dimethyl-N-pyridin-3-yl-N-pyridin-4-yl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-amine.

Molecular Properties

Compound Name13,13-dimethyl-N-pyridin-3-yl-N-pyridin-4-yl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-amine
PubChem CID70893337
Molecular FormulaC31H24N4
Molecular Weight452.56 g/mol
Exact Mass452.20
IUPAC Name13,13-dimethyl-N-pyridin-3-yl-N-pyridin-4-yl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-amine
SMILESCC1(C)c2ccccc2-n2c3ccc(N(c4ccncc4)c4cccnc4)cc3c3cccc1c32
InChIInChI=1S/C31H24N4/c1-31(2)26-9-3-4-11-29(26)35-28-13-12-22(19-25(28)24-8-5-10-27(31)30(24)35)34(21-14-17-32-18-15-21)23-7-6-16-33-20-23/h3-20H,1-2H3
InChIKeyXVUQVIMLLJVDHM-UHFFFAOYSA-N
XLogP7.68
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.56
LogP ≤ 57.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 13,13-dimethyl-N-pyridin-3-yl-N-pyridin-4-yl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-amine with MolForge

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Related Compounds

13,13-dimethyl-N,N-diphenyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-amine
CID 67325570
N-(3,5-dimethylphenyl)-13,13-dimethyl-N-phenyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-amine
CID 70892951
4-(N-(13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-yl)anilino)benzonitrile
CID 70885552
4-(N-(13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-yl)-3-methylanilino)benzonitrile
CID 70885418
13,13-dimethyl-N-(3-methylphenyl)-N-pyridin-2-yl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-amine
CID 70886309
9-[6-(5,5-dimethylbenzo[b][1,7]naphthyridin-10-yl)-2-pyridinyl]-N,N-diphenylcarbazol-3-amine
CID 154589708
N-(3,5-dimethylphenyl)-13,13-dimethyl-N-(4-phenylphenyl)-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-amine
CID 70893054
N-[4-(13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-yl)phenyl]-N-naphthalen-2-ylnaphthalen-2-amine
CID 70893086
N-(4-tert-butylphenyl)-N-(9,9-dimethylfluoren-2-yl)-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-amine
CID 70893084
5,13,13-trimethyl-1,17-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene
CID 144808835
4-N-(13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-10-yl)-1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]benzene-1,4-diamine
CID 71036435
4-N,4-N-bis(13,13-dimethyl-10-phenyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-yl)-1-N,1-N-diphenylbenzene-1,4-diamine
CID 89211308

Frequently Asked Questions

What is the IUPAC name of 13,13-dimethyl-N-pyridin-3-yl-N-pyridin-4-yl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-amine?
The IUPAC name of 13,13-dimethyl-N-pyridin-3-yl-N-pyridin-4-yl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-amine (CID 70893337) is 13,13-dimethyl-N-pyridin-3-yl-N-pyridin-4-yl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-amine.
What is the SMILES notation for 13,13-dimethyl-N-pyridin-3-yl-N-pyridin-4-yl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-amine?
The canonical SMILES for 13,13-dimethyl-N-pyridin-3-yl-N-pyridin-4-yl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-amine is CC1(C)c2ccccc2-n2c3ccc(N(c4ccncc4)c4cccnc4)cc3c3cccc1c32.
What is the InChIKey of 13,13-dimethyl-N-pyridin-3-yl-N-pyridin-4-yl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-amine?
The InChIKey is XVUQVIMLLJVDHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H24N4/c1-31(2)26-9-3-4-11-29(26)35-28-13-12-22(19-25(28)24-8-5-10-27(31)30(24)35)34(21-14-17-32-18-15-21)23-7-6-16-33-20-23/h3-20H,1-2H3.
What are the key properties of 13,13-dimethyl-N-pyridin-3-yl-N-pyridin-4-yl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-amine?
13,13-dimethyl-N-pyridin-3-yl-N-pyridin-4-yl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-amine has a molecular weight of 452.56 g/mol, XLogP of 7.68, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 13,13-dimethyl-N-pyridin-3-yl-N-pyridin-4-yl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-amine is sourced from PubChem (CID 70893337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).