N-(cyclopropylmethyl)-5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]pyridine-3-carboxamide

C20H21N5O — CID 129315458

IUPACN-(cyclopropylmethyl)-5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]pyridine-3-carboxamide
SMILESCc1nc(-c2cc(-c3cncc(C(=O)NCC4CC4)c3)ccn2)[nH]c1C
InChIInChI=1S/C20H21N5O/c1-12-13(2)25-19(24-12)18-8-15(5-6-22-18)16-7-17(11-21-10-16)20(26)23-9-14-3-4-14/h5-8,10-11,14H,3-4,9H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyQRPNTZPPRFWETF-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.29
Rot. Bonds5

About N-(cyclopropylmethyl)-5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]pyridine-3-carboxamide

N-(cyclopropylmethyl)-5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]pyridine-3-carboxamide (PubChem CID 129315458) has the molecular formula C20H21N5O and a molecular weight of 347.42 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]pyridine-3-carboxamide
PubChem CID129315458
Molecular FormulaC20H21N5O
Molecular Weight347.42 g/mol
Exact Mass347.17
IUPAC NameN-(cyclopropylmethyl)-5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]pyridine-3-carboxamide
SMILESCc1nc(-c2cc(-c3cncc(C(=O)NCC4CC4)c3)ccn2)[nH]c1C
InChIInChI=1S/C20H21N5O/c1-12-13(2)25-19(24-12)18-8-15(5-6-22-18)16-7-17(11-21-10-16)20(26)23-9-14-3-4-14/h5-8,10-11,14H,3-4,9H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyQRPNTZPPRFWETF-UHFFFAOYSA-N
XLogP3.29
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(cyclopropylmethyl)-5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]pyridine-3-carboxamide with MolForge

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Related Compounds

Alosetron
CID 2099
Alosetron Hydrochloride
CID 60758
2-(Difluoromethyl)-5-{[(2-Methylpropanoyl)amino]methyl}-N-{5-Methyl-4-[4-(Trifluoromethyl)phenyl]-1h-Imidazol-2-Yl}pyridine-3-Carboxamide
CID 71059525
AR-H047108
CID 9864291
IN-1130
CID 11676119
2-(2-aminopyrimidin-4-yl)-7-(propan-2-yl)-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one
CID 11357740
6-cyclopropyl-N-[4-fluoro-2-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 58548285
6-cyclopropyl-N-[4,5-difluoro-2-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 58548299
6-cyclopropyl-N-[5-fluoro-2-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 58548376
Macrocyclic Quinoxaline-Pyrrolodihydropiperidinone
CID 73056835
(7S)-2-(2-aminopyrimidin-4-yl)-7-(2-fluoroethyl)-1,5,6,7-tetrahydro-4H-pyrrolo[3,2-c]pyridin-4-one
CID 16757525
6H-Dipyrido(3,2-b:2',3'-e)(1,4)diazepin-6-one, 11-ethyl-5,11-dihydro-5-methyl-2-(1H-pyrrolo(2,3-c)pyridin-3-yl)-
CID 466848

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]pyridine-3-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]pyridine-3-carboxamide (CID 129315458) is N-(cyclopropylmethyl)-5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]pyridine-3-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]pyridine-3-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]pyridine-3-carboxamide is Cc1nc(-c2cc(-c3cncc(C(=O)NCC4CC4)c3)ccn2)[nH]c1C.
What is the InChIKey of N-(cyclopropylmethyl)-5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]pyridine-3-carboxamide?
The InChIKey is QRPNTZPPRFWETF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O/c1-12-13(2)25-19(24-12)18-8-15(5-6-22-18)16-7-17(11-21-10-16)20(26)23-9-14-3-4-14/h5-8,10-11,14H,3-4,9H2,1-2H3,(H,23,26)(H,24,25).
What are the key properties of N-(cyclopropylmethyl)-5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]pyridine-3-carboxamide?
N-(cyclopropylmethyl)-5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]pyridine-3-carboxamide has a molecular weight of 347.42 g/mol, XLogP of 3.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]pyridine-3-carboxamide is sourced from PubChem (CID 129315458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).