N-cyclopropyl-5-methyl-N-[1-(5-methylpyridine-3-carbonyl)pyrrolidin-3-yl]pyridine-3-carboxamide

C21H24N4O2 — CID 127738758

IUPACN-cyclopropyl-5-methyl-N-[1-(5-methylpyridine-3-carbonyl)pyrrolidin-3-yl]pyridine-3-carboxamide
SMILESCc1cncc(C(=O)N2CCC(N(C(=O)c3cncc(C)c3)C3CC3)C2)c1
InChIInChI=1S/C21H24N4O2/c1-14-7-16(11-22-9-14)20(26)24-6-5-19(13-24)25(18-3-4-18)21(27)17-8-15(2)10-23-12-17/h7-12,18-19H,3-6,13H2,1-2H3
InChIKeyIYEDCQITMJIYDJ-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.61
Rot. Bonds4

About N-cyclopropyl-5-methyl-N-[1-(5-methylpyridine-3-carbonyl)pyrrolidin-3-yl]pyridine-3-carboxamide

N-cyclopropyl-5-methyl-N-[1-(5-methylpyridine-3-carbonyl)pyrrolidin-3-yl]pyridine-3-carboxamide (PubChem CID 127738758) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is N-cyclopropyl-5-methyl-N-[1-(5-methylpyridine-3-carbonyl)pyrrolidin-3-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-5-methyl-N-[1-(5-methylpyridine-3-carbonyl)pyrrolidin-3-yl]pyridine-3-carboxamide
PubChem CID127738758
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC NameN-cyclopropyl-5-methyl-N-[1-(5-methylpyridine-3-carbonyl)pyrrolidin-3-yl]pyridine-3-carboxamide
SMILESCc1cncc(C(=O)N2CCC(N(C(=O)c3cncc(C)c3)C3CC3)C2)c1
InChIInChI=1S/C21H24N4O2/c1-14-7-16(11-22-9-14)20(26)24-6-5-19(13-24)25(18-3-4-18)21(27)17-8-15(2)10-23-12-17/h7-12,18-19H,3-6,13H2,1-2H3
InChIKeyIYEDCQITMJIYDJ-UHFFFAOYSA-N
XLogP2.61
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-amino-3-ethylpiperidin-1-yl)-(5-methyl-3-pyridinyl)methanone
CID 81458199
[3-(2-aminoethyl)pyrrolidin-1-yl]-(5-methyl-3-pyridinyl)methanone
CID 114802166
[3-(dimethylamino)pyrrolidin-1-yl]-(5-hydroxy-3-pyridinyl)methanone
CID 63858593
[(3S,4R)-3-hydroxy-4-(3-methylthiophen-2-yl)piperidin-1-yl]-(5-methyl-3-pyridinyl)methanone
CID 50964391
[3-[(3-hydroxyphenyl)methyl]pyrrolidin-1-yl]-(5-methyl-3-pyridinyl)methanone
CID 166615057
N-cyclopropyl-4-(methoxymethyl)-N-[1-[4-(methoxymethyl)benzoyl]pyrrolidin-3-yl]benzamide
CID 71912388
(5-methyl-3-pyridinyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone;dihydrochloride
CID 119999315
methyl 4-(5-methylpyridine-3-carbonyl)morpholine-2-carboxylate
CID 79035757
(2S)-1-(5-methylpyridine-3-carbonyl)piperidine-2-carboxylic acid
CID 66263120
N-cyclopropyl-5-methyl-N-[(3R)-1-(5-methylthiophene-2-carbonyl)pyrrolidin-3-yl]thiophene-2-carboxamide
CID 97071473
(4-hydroxy-4-methylazepan-1-yl)-(5-methyl-3-pyridinyl)methanone
CID 107406442
(5-bromo-3-pyridinyl)-[3-(dimethylamino)piperidin-1-yl]methanone
CID 63079740

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-methyl-N-[1-(5-methylpyridine-3-carbonyl)pyrrolidin-3-yl]pyridine-3-carboxamide?
The IUPAC name of N-cyclopropyl-5-methyl-N-[1-(5-methylpyridine-3-carbonyl)pyrrolidin-3-yl]pyridine-3-carboxamide (CID 127738758) is N-cyclopropyl-5-methyl-N-[1-(5-methylpyridine-3-carbonyl)pyrrolidin-3-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-5-methyl-N-[1-(5-methylpyridine-3-carbonyl)pyrrolidin-3-yl]pyridine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-5-methyl-N-[1-(5-methylpyridine-3-carbonyl)pyrrolidin-3-yl]pyridine-3-carboxamide is Cc1cncc(C(=O)N2CCC(N(C(=O)c3cncc(C)c3)C3CC3)C2)c1.
What is the InChIKey of N-cyclopropyl-5-methyl-N-[1-(5-methylpyridine-3-carbonyl)pyrrolidin-3-yl]pyridine-3-carboxamide?
The InChIKey is IYEDCQITMJIYDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-14-7-16(11-22-9-14)20(26)24-6-5-19(13-24)25(18-3-4-18)21(27)17-8-15(2)10-23-12-17/h7-12,18-19H,3-6,13H2,1-2H3.
What are the key properties of N-cyclopropyl-5-methyl-N-[1-(5-methylpyridine-3-carbonyl)pyrrolidin-3-yl]pyridine-3-carboxamide?
N-cyclopropyl-5-methyl-N-[1-(5-methylpyridine-3-carbonyl)pyrrolidin-3-yl]pyridine-3-carboxamide has a molecular weight of 364.45 g/mol, XLogP of 2.61, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-methyl-N-[1-(5-methylpyridine-3-carbonyl)pyrrolidin-3-yl]pyridine-3-carboxamide is sourced from PubChem (CID 127738758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).