1,2-dimethyl-N-[[6-[(1-methylpiperidin-4-yl)methylamino]-3-pyridinyl]methyl]pyrrolo[2,3-b]pyridin-4-amine

C22H30N6 — CID 171362884

IUPAC1,2-dimethyl-N-[[6-[(1-methylpiperidin-4-yl)methylamino]-3-pyridinyl]methyl]pyrrolo[2,3-b]pyridin-4-amine
SMILESCc1cc2c(NCc3ccc(NCC4CCN(C)CC4)nc3)ccnc2n1C
InChIInChI=1S/C22H30N6/c1-16-12-19-20(6-9-23-22(19)28(16)3)24-14-18-4-5-21(26-15-18)25-13-17-7-10-27(2)11-8-17/h4-6,9,12,15,17H,7-8,10-11,13-14H2,1-3H3,(H,23,24)(H,25,26)
InChIKeyQZDMAGNXJZMVEL-UHFFFAOYSA-N
MW378.52 g/mol
LogP3.64
Rot. Bonds6

About 1,2-dimethyl-N-[[6-[(1-methylpiperidin-4-yl)methylamino]-3-pyridinyl]methyl]pyrrolo[2,3-b]pyridin-4-amine

1,2-dimethyl-N-[[6-[(1-methylpiperidin-4-yl)methylamino]-3-pyridinyl]methyl]pyrrolo[2,3-b]pyridin-4-amine (PubChem CID 171362884) has the molecular formula C22H30N6 and a molecular weight of 378.52 g/mol. Its IUPAC name is 1,2-dimethyl-N-[[6-[(1-methylpiperidin-4-yl)methylamino]-3-pyridinyl]methyl]pyrrolo[2,3-b]pyridin-4-amine.

Molecular Properties

Compound Name1,2-dimethyl-N-[[6-[(1-methylpiperidin-4-yl)methylamino]-3-pyridinyl]methyl]pyrrolo[2,3-b]pyridin-4-amine
PubChem CID171362884
Molecular FormulaC22H30N6
Molecular Weight378.52 g/mol
Exact Mass378.25
IUPAC Name1,2-dimethyl-N-[[6-[(1-methylpiperidin-4-yl)methylamino]-3-pyridinyl]methyl]pyrrolo[2,3-b]pyridin-4-amine
SMILESCc1cc2c(NCc3ccc(NCC4CCN(C)CC4)nc3)ccnc2n1C
InChIInChI=1S/C22H30N6/c1-16-12-19-20(6-9-23-22(19)28(16)3)24-14-18-4-5-21(26-15-18)25-13-17-7-10-27(2)11-8-17/h4-6,9,12,15,17H,7-8,10-11,13-14H2,1-3H3,(H,23,24)(H,25,26)
InChIKeyQZDMAGNXJZMVEL-UHFFFAOYSA-N
XLogP3.64
TPSA58.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-N-[[6-[(1-methylpiperidin-4-yl)methylamino]-3-pyridinyl]methyl]pyrrolo[2,3-b]pyridin-4-amine?
The IUPAC name of 1,2-dimethyl-N-[[6-[(1-methylpiperidin-4-yl)methylamino]-3-pyridinyl]methyl]pyrrolo[2,3-b]pyridin-4-amine (CID 171362884) is 1,2-dimethyl-N-[[6-[(1-methylpiperidin-4-yl)methylamino]-3-pyridinyl]methyl]pyrrolo[2,3-b]pyridin-4-amine.
What is the SMILES notation for 1,2-dimethyl-N-[[6-[(1-methylpiperidin-4-yl)methylamino]-3-pyridinyl]methyl]pyrrolo[2,3-b]pyridin-4-amine?
The canonical SMILES for 1,2-dimethyl-N-[[6-[(1-methylpiperidin-4-yl)methylamino]-3-pyridinyl]methyl]pyrrolo[2,3-b]pyridin-4-amine is Cc1cc2c(NCc3ccc(NCC4CCN(C)CC4)nc3)ccnc2n1C.
What is the InChIKey of 1,2-dimethyl-N-[[6-[(1-methylpiperidin-4-yl)methylamino]-3-pyridinyl]methyl]pyrrolo[2,3-b]pyridin-4-amine?
The InChIKey is QZDMAGNXJZMVEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N6/c1-16-12-19-20(6-9-23-22(19)28(16)3)24-14-18-4-5-21(26-15-18)25-13-17-7-10-27(2)11-8-17/h4-6,9,12,15,17H,7-8,10-11,13-14H2,1-3H3,(H,23,24)(H,25,26).
What are the key properties of 1,2-dimethyl-N-[[6-[(1-methylpiperidin-4-yl)methylamino]-3-pyridinyl]methyl]pyrrolo[2,3-b]pyridin-4-amine?
1,2-dimethyl-N-[[6-[(1-methylpiperidin-4-yl)methylamino]-3-pyridinyl]methyl]pyrrolo[2,3-b]pyridin-4-amine has a molecular weight of 378.52 g/mol, XLogP of 3.64, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-N-[[6-[(1-methylpiperidin-4-yl)methylamino]-3-pyridinyl]methyl]pyrrolo[2,3-b]pyridin-4-amine is sourced from PubChem (CID 171362884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).