N-[(1S)-1-(4-methyl-2-pyridinyl)propyl]-1H-pyrrolo[2,3-b]pyridin-6-amine

C16H18N4 — CID 95715865

IUPACN-[(1S)-1-(4-methyl-2-pyridinyl)propyl]-1H-pyrrolo[2,3-b]pyridin-6-amine
SMILESCC[C@H](Nc1ccc2cc[nH]c2n1)c1cc(C)ccn1
InChIInChI=1S/C16H18N4/c1-3-13(14-10-11(2)6-8-17-14)19-15-5-4-12-7-9-18-16(12)20-15/h4-10,13H,3H2,1-2H3,(H2,18,19,20)/t13-/m0/s1
InChIKeyOSUFVGGFOGVEAT-ZDUSSCGKSA-N
MW266.35 g/mol
LogP3.83
Rot. Bonds4

About N-[(1S)-1-(4-methyl-2-pyridinyl)propyl]-1H-pyrrolo[2,3-b]pyridin-6-amine

N-[(1S)-1-(4-methyl-2-pyridinyl)propyl]-1H-pyrrolo[2,3-b]pyridin-6-amine (PubChem CID 95715865) has the molecular formula C16H18N4 and a molecular weight of 266.35 g/mol. Its IUPAC name is N-[(1S)-1-(4-methyl-2-pyridinyl)propyl]-1H-pyrrolo[2,3-b]pyridin-6-amine.

Molecular Properties

Compound NameN-[(1S)-1-(4-methyl-2-pyridinyl)propyl]-1H-pyrrolo[2,3-b]pyridin-6-amine
PubChem CID95715865
Molecular FormulaC16H18N4
Molecular Weight266.35 g/mol
Exact Mass266.15
IUPAC NameN-[(1S)-1-(4-methyl-2-pyridinyl)propyl]-1H-pyrrolo[2,3-b]pyridin-6-amine
SMILESCC[C@H](Nc1ccc2cc[nH]c2n1)c1cc(C)ccn1
InChIInChI=1S/C16H18N4/c1-3-13(14-10-11(2)6-8-17-14)19-15-5-4-12-7-9-18-16(12)20-15/h4-10,13H,3H2,1-2H3,(H2,18,19,20)/t13-/m0/s1
InChIKeyOSUFVGGFOGVEAT-ZDUSSCGKSA-N
XLogP3.83
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-methyl-2-pyridinyl)propyl]-1H-pyrrolo[2,3-b]pyridin-6-amine?
The IUPAC name of N-[(1S)-1-(4-methyl-2-pyridinyl)propyl]-1H-pyrrolo[2,3-b]pyridin-6-amine (CID 95715865) is N-[(1S)-1-(4-methyl-2-pyridinyl)propyl]-1H-pyrrolo[2,3-b]pyridin-6-amine.
What is the SMILES notation for N-[(1S)-1-(4-methyl-2-pyridinyl)propyl]-1H-pyrrolo[2,3-b]pyridin-6-amine?
The canonical SMILES for N-[(1S)-1-(4-methyl-2-pyridinyl)propyl]-1H-pyrrolo[2,3-b]pyridin-6-amine is CC[C@H](Nc1ccc2cc[nH]c2n1)c1cc(C)ccn1.
What is the InChIKey of N-[(1S)-1-(4-methyl-2-pyridinyl)propyl]-1H-pyrrolo[2,3-b]pyridin-6-amine?
The InChIKey is OSUFVGGFOGVEAT-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H18N4/c1-3-13(14-10-11(2)6-8-17-14)19-15-5-4-12-7-9-18-16(12)20-15/h4-10,13H,3H2,1-2H3,(H2,18,19,20)/t13-/m0/s1.
What are the key properties of N-[(1S)-1-(4-methyl-2-pyridinyl)propyl]-1H-pyrrolo[2,3-b]pyridin-6-amine?
N-[(1S)-1-(4-methyl-2-pyridinyl)propyl]-1H-pyrrolo[2,3-b]pyridin-6-amine has a molecular weight of 266.35 g/mol, XLogP of 3.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-methyl-2-pyridinyl)propyl]-1H-pyrrolo[2,3-b]pyridin-6-amine is sourced from PubChem (CID 95715865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).