N-[4-[(4S)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl]phenyl]acetamide

C14H16N4O — CID 95126635

IUPACN-[4-[(4S)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc([C@@H]2NCCc3[nH]cnc32)cc1
InChIInChI=1S/C14H16N4O/c1-9(19)18-11-4-2-10(3-5-11)13-14-12(6-7-15-13)16-8-17-14/h2-5,8,13,15H,6-7H2,1H3,(H,16,17)(H,18,19)/t13-/m0/s1
InChIKeyUQEIZESBGYJISQ-ZDUSSCGKSA-N
MW256.31 g/mol
LogP1.60
Rot. Bonds2

About N-[4-[(4S)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl]phenyl]acetamide

N-[4-[(4S)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl]phenyl]acetamide (PubChem CID 95126635) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is N-[4-[(4S)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(4S)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl]phenyl]acetamide
PubChem CID95126635
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC NameN-[4-[(4S)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc([C@@H]2NCCc3[nH]cnc32)cc1
InChIInChI=1S/C14H16N4O/c1-9(19)18-11-4-2-10(3-5-11)13-14-12(6-7-15-13)16-8-17-14/h2-5,8,13,15H,6-7H2,1H3,(H,16,17)(H,18,19)/t13-/m0/s1
InChIKeyUQEIZESBGYJISQ-ZDUSSCGKSA-N
XLogP1.60
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(4S)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl]phenyl]acetamide?
The IUPAC name of N-[4-[(4S)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl]phenyl]acetamide (CID 95126635) is N-[4-[(4S)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(4S)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[(4S)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl]phenyl]acetamide is CC(=O)Nc1ccc([C@@H]2NCCc3[nH]cnc32)cc1.
What is the InChIKey of N-[4-[(4S)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl]phenyl]acetamide?
The InChIKey is UQEIZESBGYJISQ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H16N4O/c1-9(19)18-11-4-2-10(3-5-11)13-14-12(6-7-15-13)16-8-17-14/h2-5,8,13,15H,6-7H2,1H3,(H,16,17)(H,18,19)/t13-/m0/s1.
What are the key properties of N-[4-[(4S)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl]phenyl]acetamide?
N-[4-[(4S)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl]phenyl]acetamide has a molecular weight of 256.31 g/mol, XLogP of 1.60, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4S)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl]phenyl]acetamide is sourced from PubChem (CID 95126635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).