N-(3-tert-butylphenyl)-N-[2-(1H-indol-6-ylamino)-3-pyridinyl]formamide

C24H24N4O — CID 141061892

IUPACN-(3-tert-butylphenyl)-N-[2-(1H-indol-6-ylamino)-3-pyridinyl]formamide
SMILESCC(C)(C)c1cccc(N(C=O)c2cccnc2Nc2ccc3cc[nH]c3c2)c1
InChIInChI=1S/C24H24N4O/c1-24(2,3)18-6-4-7-20(14-18)28(16-29)22-8-5-12-26-23(22)27-19-10-9-17-11-13-25-21(17)15-19/h4-16,25H,1-3H3,(H,26,27)
InChIKeyCXDLMGPFTPWSEB-UHFFFAOYSA-N
MW384.48 g/mol
LogP5.90
Rot. Bonds5

About N-(3-tert-butylphenyl)-N-[2-(1H-indol-6-ylamino)-3-pyridinyl]formamide

N-(3-tert-butylphenyl)-N-[2-(1H-indol-6-ylamino)-3-pyridinyl]formamide (PubChem CID 141061892) has the molecular formula C24H24N4O and a molecular weight of 384.48 g/mol. Its IUPAC name is N-(3-tert-butylphenyl)-N-[2-(1H-indol-6-ylamino)-3-pyridinyl]formamide.

Molecular Properties

Compound NameN-(3-tert-butylphenyl)-N-[2-(1H-indol-6-ylamino)-3-pyridinyl]formamide
PubChem CID141061892
Molecular FormulaC24H24N4O
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC NameN-(3-tert-butylphenyl)-N-[2-(1H-indol-6-ylamino)-3-pyridinyl]formamide
SMILESCC(C)(C)c1cccc(N(C=O)c2cccnc2Nc2ccc3cc[nH]c3c2)c1
InChIInChI=1S/C24H24N4O/c1-24(2,3)18-6-4-7-20(14-18)28(16-29)22-8-5-12-26-23(22)27-19-10-9-17-11-13-25-21(17)15-19/h4-16,25H,1-3H3,(H,26,27)
InChIKeyCXDLMGPFTPWSEB-UHFFFAOYSA-N
XLogP5.90
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.48
LogP ≤ 55.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-(6-tert-butyl-2-pyridinyl)-1H-indol-6-amine
CID 155412230
N-[2-[(2,3-difluorophenyl)methylamino]-3-pyridinyl]-N-[3-(trifluoromethyl)phenyl]formamide
CID 87940883
N-pyridin-4-yl-1H-indol-6-amine
CID 19047631
N-[6-[(Z)-but-1-enyl]-2-pyridinyl]-1H-indol-6-amine
CID 155392032
N-(6-tert-butylnaphthalen-2-yl)pyridin-2-amine
CID 58514141
N-[[(Z)-1-pyridin-2-ylbut-2-enyl]diazenyl]-1H-indol-6-amine
CID 142880524
3-tert-butylbenzaldehyde;4-methoxy-1-N-methyl-3-N-[3-(7H-purin-6-yl)-2-pyridinyl]benzene-1,3-diamine
CID 145384028
N-(4-phenylpyrimidin-2-yl)-1H-indol-6-amine
CID 155412429
2-N-[3-(dimethylamino)phenyl]pyridine-2,3-diamine
CID 115376029
(4S)-6-ethoxy-2-N-(1H-indol-6-yl)-4-[3-(trifluoromethyl)phenyl]-1H-1,3,5-triazine-2,4-diamine
CID 67016164
2-(1H-indazol-6-ylamino)-N-[4-[2-(1-methylpiperidin-4-yl)propan-2-yl]phenyl]pyridine-3-carboxamide
CID 10298783
N-cyclohexyl-1H-indol-6-amine
CID 139269794

Frequently Asked Questions

What is the IUPAC name of N-(3-tert-butylphenyl)-N-[2-(1H-indol-6-ylamino)-3-pyridinyl]formamide?
The IUPAC name of N-(3-tert-butylphenyl)-N-[2-(1H-indol-6-ylamino)-3-pyridinyl]formamide (CID 141061892) is N-(3-tert-butylphenyl)-N-[2-(1H-indol-6-ylamino)-3-pyridinyl]formamide.
What is the SMILES notation for N-(3-tert-butylphenyl)-N-[2-(1H-indol-6-ylamino)-3-pyridinyl]formamide?
The canonical SMILES for N-(3-tert-butylphenyl)-N-[2-(1H-indol-6-ylamino)-3-pyridinyl]formamide is CC(C)(C)c1cccc(N(C=O)c2cccnc2Nc2ccc3cc[nH]c3c2)c1.
What is the InChIKey of N-(3-tert-butylphenyl)-N-[2-(1H-indol-6-ylamino)-3-pyridinyl]formamide?
The InChIKey is CXDLMGPFTPWSEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O/c1-24(2,3)18-6-4-7-20(14-18)28(16-29)22-8-5-12-26-23(22)27-19-10-9-17-11-13-25-21(17)15-19/h4-16,25H,1-3H3,(H,26,27).
What are the key properties of N-(3-tert-butylphenyl)-N-[2-(1H-indol-6-ylamino)-3-pyridinyl]formamide?
N-(3-tert-butylphenyl)-N-[2-(1H-indol-6-ylamino)-3-pyridinyl]formamide has a molecular weight of 384.48 g/mol, XLogP of 5.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-tert-butylphenyl)-N-[2-(1H-indol-6-ylamino)-3-pyridinyl]formamide is sourced from PubChem (CID 141061892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).