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

C21H28N6O — CID 174191875

IUPAC6-methoxy-N-[[6-[(1-methylpiperidin-4-yl)methylamino]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridin-4-amine
SMILESCOc1cc(NCc2ccc(NCC3CCN(C)CC3)nc2)c2cc[nH]c2n1
InChIInChI=1S/C21H28N6O/c1-27-9-6-15(7-10-27)12-24-19-4-3-16(14-25-19)13-23-18-11-20(28-2)26-21-17(18)5-8-22-21/h3-5,8,11,14-15H,6-7,9-10,12-13H2,1-2H3,(H,24,25)(H2,22,23,26)
InChIKeyPTYCXYXJLIRKPN-UHFFFAOYSA-N
MW380.50 g/mol
LogP3.33
Rot. Bonds7

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

6-methoxy-N-[[6-[(1-methylpiperidin-4-yl)methylamino]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridin-4-amine (PubChem CID 174191875) has the molecular formula C21H28N6O and a molecular weight of 380.50 g/mol. Its IUPAC name is 6-methoxy-N-[[6-[(1-methylpiperidin-4-yl)methylamino]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridin-4-amine.

Molecular Properties

Compound Name6-methoxy-N-[[6-[(1-methylpiperidin-4-yl)methylamino]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridin-4-amine
PubChem CID174191875
Molecular FormulaC21H28N6O
Molecular Weight380.50 g/mol
Exact Mass380.23
IUPAC Name6-methoxy-N-[[6-[(1-methylpiperidin-4-yl)methylamino]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridin-4-amine
SMILESCOc1cc(NCc2ccc(NCC3CCN(C)CC3)nc2)c2cc[nH]c2n1
InChIInChI=1S/C21H28N6O/c1-27-9-6-15(7-10-27)12-24-19-4-3-16(14-25-19)13-23-18-11-20(28-2)26-21-17(18)5-8-22-21/h3-5,8,11,14-15H,6-7,9-10,12-13H2,1-2H3,(H,24,25)(H2,22,23,26)
InChIKeyPTYCXYXJLIRKPN-UHFFFAOYSA-N
XLogP3.33
TPSA78.10 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.50
LogP ≤ 53.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-[[6-[(1-methylpiperidin-4-yl)methylamino]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridin-4-amine?
The IUPAC name of 6-methoxy-N-[[6-[(1-methylpiperidin-4-yl)methylamino]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridin-4-amine (CID 174191875) is 6-methoxy-N-[[6-[(1-methylpiperidin-4-yl)methylamino]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridin-4-amine.
What is the SMILES notation for 6-methoxy-N-[[6-[(1-methylpiperidin-4-yl)methylamino]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridin-4-amine?
The canonical SMILES for 6-methoxy-N-[[6-[(1-methylpiperidin-4-yl)methylamino]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridin-4-amine is COc1cc(NCc2ccc(NCC3CCN(C)CC3)nc2)c2cc[nH]c2n1.
What is the InChIKey of 6-methoxy-N-[[6-[(1-methylpiperidin-4-yl)methylamino]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridin-4-amine?
The InChIKey is PTYCXYXJLIRKPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N6O/c1-27-9-6-15(7-10-27)12-24-19-4-3-16(14-25-19)13-23-18-11-20(28-2)26-21-17(18)5-8-22-21/h3-5,8,11,14-15H,6-7,9-10,12-13H2,1-2H3,(H,24,25)(H2,22,23,26).
What are the key properties of 6-methoxy-N-[[6-[(1-methylpiperidin-4-yl)methylamino]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridin-4-amine?
6-methoxy-N-[[6-[(1-methylpiperidin-4-yl)methylamino]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridin-4-amine has a molecular weight of 380.50 g/mol, XLogP of 3.33, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-[[6-[(1-methylpiperidin-4-yl)methylamino]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridin-4-amine is sourced from PubChem (CID 174191875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).