N-[(3R)-2-oxoazepan-3-yl]-3-pyrrolo[2,3-c]pyridin-1-ylpropanamide

C16H20N4O2 — CID 92578020

IUPACN-[(3R)-2-oxoazepan-3-yl]-3-pyrrolo[2,3-c]pyridin-1-ylpropanamide
SMILESO=C(CCn1ccc2ccncc21)N[C@@H]1CCCCNC1=O
InChIInChI=1S/C16H20N4O2/c21-15(19-13-3-1-2-7-18-16(13)22)6-10-20-9-5-12-4-8-17-11-14(12)20/h4-5,8-9,11,13H,1-3,6-7,10H2,(H,18,22)(H,19,21)/t13-/m1/s1
InChIKeyOIVAHXNNTOHNTG-CYBMUJFWSA-N
MW300.36 g/mol
LogP1.21
Rot. Bonds4

About N-[(3R)-2-oxoazepan-3-yl]-3-pyrrolo[2,3-c]pyridin-1-ylpropanamide

N-[(3R)-2-oxoazepan-3-yl]-3-pyrrolo[2,3-c]pyridin-1-ylpropanamide (PubChem CID 92578020) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is N-[(3R)-2-oxoazepan-3-yl]-3-pyrrolo[2,3-c]pyridin-1-ylpropanamide.

Molecular Properties

Compound NameN-[(3R)-2-oxoazepan-3-yl]-3-pyrrolo[2,3-c]pyridin-1-ylpropanamide
PubChem CID92578020
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC NameN-[(3R)-2-oxoazepan-3-yl]-3-pyrrolo[2,3-c]pyridin-1-ylpropanamide
SMILESO=C(CCn1ccc2ccncc21)N[C@@H]1CCCCNC1=O
InChIInChI=1S/C16H20N4O2/c21-15(19-13-3-1-2-7-18-16(13)22)6-10-20-9-5-12-4-8-17-11-14(12)20/h4-5,8-9,11,13H,1-3,6-7,10H2,(H,18,22)(H,19,21)/t13-/m1/s1
InChIKeyOIVAHXNNTOHNTG-CYBMUJFWSA-N
XLogP1.21
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3R)-2-oxoazepan-3-yl]-3-pyrrolo[2,3-c]pyridin-1-ylpropanamide?
The IUPAC name of N-[(3R)-2-oxoazepan-3-yl]-3-pyrrolo[2,3-c]pyridin-1-ylpropanamide (CID 92578020) is N-[(3R)-2-oxoazepan-3-yl]-3-pyrrolo[2,3-c]pyridin-1-ylpropanamide.
What is the SMILES notation for N-[(3R)-2-oxoazepan-3-yl]-3-pyrrolo[2,3-c]pyridin-1-ylpropanamide?
The canonical SMILES for N-[(3R)-2-oxoazepan-3-yl]-3-pyrrolo[2,3-c]pyridin-1-ylpropanamide is O=C(CCn1ccc2ccncc21)N[C@@H]1CCCCNC1=O.
What is the InChIKey of N-[(3R)-2-oxoazepan-3-yl]-3-pyrrolo[2,3-c]pyridin-1-ylpropanamide?
The InChIKey is OIVAHXNNTOHNTG-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H20N4O2/c21-15(19-13-3-1-2-7-18-16(13)22)6-10-20-9-5-12-4-8-17-11-14(12)20/h4-5,8-9,11,13H,1-3,6-7,10H2,(H,18,22)(H,19,21)/t13-/m1/s1.
What are the key properties of N-[(3R)-2-oxoazepan-3-yl]-3-pyrrolo[2,3-c]pyridin-1-ylpropanamide?
N-[(3R)-2-oxoazepan-3-yl]-3-pyrrolo[2,3-c]pyridin-1-ylpropanamide has a molecular weight of 300.36 g/mol, XLogP of 1.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-2-oxoazepan-3-yl]-3-pyrrolo[2,3-c]pyridin-1-ylpropanamide is sourced from PubChem (CID 92578020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).