N-[3-[6-(N'-methanimidoylcarbamimidoyl)-2-(2-methylpropyl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]formamide

C19H27N7O — CID 168885440

IUPACN-[3-[6-(N'-methanimidoylcarbamimidoyl)-2-(2-methylpropyl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]formamide
SMILES[H]/N=C/N=C(\N)c1cc2c(cn1)nc(CC(C)C)n2C1CCCC(NC=O)C1
InChIInChI=1S/C19H27N7O/c1-12(2)6-18-25-16-9-22-15(19(21)23-10-20)8-17(16)26(18)14-5-3-4-13(7-14)24-11-27/h8-14H,3-7H2,1-2H3,(H,24,27)(H3,20,21,23)
InChIKeyRTZQDNUDDISXTP-UHFFFAOYSA-N
MW369.47 g/mol
LogP2.17
Rot. Bonds7

About N-[3-[6-(N'-methanimidoylcarbamimidoyl)-2-(2-methylpropyl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]formamide

N-[3-[6-(N'-methanimidoylcarbamimidoyl)-2-(2-methylpropyl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]formamide (PubChem CID 168885440) has the molecular formula C19H27N7O and a molecular weight of 369.47 g/mol. Its IUPAC name is N-[3-[6-(N'-methanimidoylcarbamimidoyl)-2-(2-methylpropyl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]formamide.

Molecular Properties

Compound NameN-[3-[6-(N'-methanimidoylcarbamimidoyl)-2-(2-methylpropyl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]formamide
PubChem CID168885440
Molecular FormulaC19H27N7O
Molecular Weight369.47 g/mol
Exact Mass369.23
IUPAC NameN-[3-[6-(N'-methanimidoylcarbamimidoyl)-2-(2-methylpropyl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]formamide
SMILES[H]/N=C/N=C(\N)c1cc2c(cn1)nc(CC(C)C)n2C1CCCC(NC=O)C1
InChIInChI=1S/C19H27N7O/c1-12(2)6-18-25-16-9-22-15(19(21)23-10-20)8-17(16)26(18)14-5-3-4-13(7-14)24-11-27/h8-14H,3-7H2,1-2H3,(H,24,27)(H3,20,21,23)
InChIKeyRTZQDNUDDISXTP-UHFFFAOYSA-N
XLogP2.17
TPSA122.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-[3-[6-(N'-methanimidoylcarbamimidoyl)-2-(2-methylpropyl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]-5-(trifluoromethyl)thiophene-2-carboxamide
CID 168885724
chloromethane;N-[3-[6-(N'-methanimidoylcarbamimidoyl)-2-(trifluoromethoxymethyl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]-1,3-thiazole-2-carboxamide
CID 168885817
methyl 1-[(1R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]-2-(2-methylpropyl)imidazo[4,5-c]pyridine-6-carboxylate
CID 168885407
N-[3-[2-[2-(aminomethyl)phenyl]-6-(N'-methanimidoylcarbamimidoyl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]-5-chloro-1,3-thiazole-2-carboxamide
CID 168886160
formamide;methyl N-[1-[1-[3-(5-chloro-1,3-thiazol-2-yl)cyclohexyl]-6-(N'-methanimidoylcarbamimidoyl)imidazo[4,5-c]pyridin-2-yl]-2-methylpropyl]carbamate
CID 168885812
5-chloro-1,3-thiazole-2-carbaldehyde;N-methyl-3-[6-(4-methyl-1,3-oxazol-2-yl)-2-(2-methylpropyl)imidazo[4,5-c]pyridin-1-yl]cyclohexan-1-amine
CID 168886103
5-chloro-N-[(1S,3R)-3-[6-[(2R)-2-cyanopyrrolidin-1-yl]-2-(2-methylpropyl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]-1,3-thiazole-2-carboxamide
CID 168885811
5-chloro-N-[(1S,3R)-3-[6-[2-(cyanomethyl)phenyl]-2-(2-methylpropyl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]thiophene-2-carboxamide
CID 168885798
N-[(1S,3R)-3-[6-(1,3-benzoxazol-2-yl)-2-(2-methylpropyl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]-5-chloro-1,3-thiazole-2-carboxamide
CID 168885448
tert-butyl N-[5-[6-cyano-2-(2-methylpropyl)imidazo[4,5-c]pyridin-1-yl]-1-methylpiperidin-3-yl]carbamate
CID 175902422
4-chloro-N-[(1S,3R)-3-[2-(4-hydroxy-2-methylbutyl)-6-(1H-1,2,4-triazol-5-yl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]pyridine-2-carboxamide
CID 172601962
N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)formamide
CID 65471104

Frequently Asked Questions

What is the IUPAC name of N-[3-[6-(N'-methanimidoylcarbamimidoyl)-2-(2-methylpropyl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]formamide?
The IUPAC name of N-[3-[6-(N'-methanimidoylcarbamimidoyl)-2-(2-methylpropyl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]formamide (CID 168885440) is N-[3-[6-(N'-methanimidoylcarbamimidoyl)-2-(2-methylpropyl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]formamide.
What is the SMILES notation for N-[3-[6-(N'-methanimidoylcarbamimidoyl)-2-(2-methylpropyl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]formamide?
The canonical SMILES for N-[3-[6-(N'-methanimidoylcarbamimidoyl)-2-(2-methylpropyl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]formamide is [H]/N=C/N=C(\N)c1cc2c(cn1)nc(CC(C)C)n2C1CCCC(NC=O)C1.
What is the InChIKey of N-[3-[6-(N'-methanimidoylcarbamimidoyl)-2-(2-methylpropyl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]formamide?
The InChIKey is RTZQDNUDDISXTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N7O/c1-12(2)6-18-25-16-9-22-15(19(21)23-10-20)8-17(16)26(18)14-5-3-4-13(7-14)24-11-27/h8-14H,3-7H2,1-2H3,(H,24,27)(H3,20,21,23).
What are the key properties of N-[3-[6-(N'-methanimidoylcarbamimidoyl)-2-(2-methylpropyl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]formamide?
N-[3-[6-(N'-methanimidoylcarbamimidoyl)-2-(2-methylpropyl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]formamide has a molecular weight of 369.47 g/mol, XLogP of 2.17, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[6-(N'-methanimidoylcarbamimidoyl)-2-(2-methylpropyl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]formamide is sourced from PubChem (CID 168885440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).