benzyl N-cyclopropyl-N-(3H-imidazo[4,5-c]pyridin-2-yl)carbamate

C17H16N4O2 — CID 123335824

IUPACbenzyl N-cyclopropyl-N-(3H-imidazo[4,5-c]pyridin-2-yl)carbamate
SMILESO=C(OCc1ccccc1)N(c1nc2ccncc2[nH]1)C1CC1
InChIInChI=1S/C17H16N4O2/c22-17(23-11-12-4-2-1-3-5-12)21(13-6-7-13)16-19-14-8-9-18-10-15(14)20-16/h1-5,8-10,13H,6-7,11H2,(H,19,20)
InChIKeyAYZFCHOIRSEEAT-UHFFFAOYSA-N
MW308.34 g/mol
LogP3.26
Rot. Bonds4

About benzyl N-cyclopropyl-N-(3H-imidazo[4,5-c]pyridin-2-yl)carbamate

benzyl N-cyclopropyl-N-(3H-imidazo[4,5-c]pyridin-2-yl)carbamate (PubChem CID 123335824) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is benzyl N-cyclopropyl-N-(3H-imidazo[4,5-c]pyridin-2-yl)carbamate.

Molecular Properties

Compound Namebenzyl N-cyclopropyl-N-(3H-imidazo[4,5-c]pyridin-2-yl)carbamate
PubChem CID123335824
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC Namebenzyl N-cyclopropyl-N-(3H-imidazo[4,5-c]pyridin-2-yl)carbamate
SMILESO=C(OCc1ccccc1)N(c1nc2ccncc2[nH]1)C1CC1
InChIInChI=1S/C17H16N4O2/c22-17(23-11-12-4-2-1-3-5-12)21(13-6-7-13)16-19-14-8-9-18-10-15(14)20-16/h1-5,8-10,13H,6-7,11H2,(H,19,20)
InChIKeyAYZFCHOIRSEEAT-UHFFFAOYSA-N
XLogP3.26
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl N-cyclopropyl-N-pyridin-2-ylcarbamate
CID 110723115
benzyl N-(4-methylcyclohexyl)-N-phenylcarbamate
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CID 130159300
benzyl N-[(1R,3R,4S)-3,4-dihydroxycyclohexyl]-N-methylcarbamate
CID 67475983
benzyl N-(4-aminocyclohexyl)-N-methylcarbamate
CID 91599052
benzyl N-(3-aminocyclohexyl)-N-methylcarbamate
CID 138114146
benzyl N-(2-hydroxyethyl)-N-piperidin-4-ylcarbamate
CID 171068971
benzyl N-cyclopropyloxy-N-methylcarbamate
CID 169312845
benzyl N-cyclopropyl-N-[(3S)-piperidin-3-yl]carbamate
CID 66569398
benzyl 2-amino-4-oxobutanoate;9H-pyrido[3,4-b]indole
CID 175356072
phenyl 3-(3H-imidazo[4,5-c]pyridin-2-ylsulfinylmethyl)benzoate
CID 54051247
benzyl N-cyclopropyl-N-[1-(2-hydroxyethyl)pyrrolidin-3-yl]carbamate
CID 66566520

Frequently Asked Questions

What is the IUPAC name of benzyl N-cyclopropyl-N-(3H-imidazo[4,5-c]pyridin-2-yl)carbamate?
The IUPAC name of benzyl N-cyclopropyl-N-(3H-imidazo[4,5-c]pyridin-2-yl)carbamate (CID 123335824) is benzyl N-cyclopropyl-N-(3H-imidazo[4,5-c]pyridin-2-yl)carbamate.
What is the SMILES notation for benzyl N-cyclopropyl-N-(3H-imidazo[4,5-c]pyridin-2-yl)carbamate?
The canonical SMILES for benzyl N-cyclopropyl-N-(3H-imidazo[4,5-c]pyridin-2-yl)carbamate is O=C(OCc1ccccc1)N(c1nc2ccncc2[nH]1)C1CC1.
What is the InChIKey of benzyl N-cyclopropyl-N-(3H-imidazo[4,5-c]pyridin-2-yl)carbamate?
The InChIKey is AYZFCHOIRSEEAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2/c22-17(23-11-12-4-2-1-3-5-12)21(13-6-7-13)16-19-14-8-9-18-10-15(14)20-16/h1-5,8-10,13H,6-7,11H2,(H,19,20).
What are the key properties of benzyl N-cyclopropyl-N-(3H-imidazo[4,5-c]pyridin-2-yl)carbamate?
benzyl N-cyclopropyl-N-(3H-imidazo[4,5-c]pyridin-2-yl)carbamate has a molecular weight of 308.34 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-cyclopropyl-N-(3H-imidazo[4,5-c]pyridin-2-yl)carbamate is sourced from PubChem (CID 123335824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).