N-[1-[5-methyl-6-[(5-methyl-3-pyridinyl)amino]-2-pyridinyl]pyrrolidin-3-yl]prop-2-enamide

C19H23N5O — CID 138631731

IUPACN-[1-[5-methyl-6-[(5-methyl-3-pyridinyl)amino]-2-pyridinyl]pyrrolidin-3-yl]prop-2-enamide
SMILESC=CC(=O)NC1CCN(c2ccc(C)c(Nc3cncc(C)c3)n2)C1
InChIInChI=1S/C19H23N5O/c1-4-18(25)21-15-7-8-24(12-15)17-6-5-14(3)19(23-17)22-16-9-13(2)10-20-11-16/h4-6,9-11,15H,1,7-8,12H2,2-3H3,(H,21,25)(H,22,23)
InChIKeyHQWMYSRXCCJIMQ-UHFFFAOYSA-N
MW337.43 g/mol
LogP2.72
Rot. Bonds5

About N-[1-[5-methyl-6-[(5-methyl-3-pyridinyl)amino]-2-pyridinyl]pyrrolidin-3-yl]prop-2-enamide

N-[1-[5-methyl-6-[(5-methyl-3-pyridinyl)amino]-2-pyridinyl]pyrrolidin-3-yl]prop-2-enamide (PubChem CID 138631731) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is N-[1-[5-methyl-6-[(5-methyl-3-pyridinyl)amino]-2-pyridinyl]pyrrolidin-3-yl]prop-2-enamide.

Molecular Properties

Compound NameN-[1-[5-methyl-6-[(5-methyl-3-pyridinyl)amino]-2-pyridinyl]pyrrolidin-3-yl]prop-2-enamide
PubChem CID138631731
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC NameN-[1-[5-methyl-6-[(5-methyl-3-pyridinyl)amino]-2-pyridinyl]pyrrolidin-3-yl]prop-2-enamide
SMILESC=CC(=O)NC1CCN(c2ccc(C)c(Nc3cncc(C)c3)n2)C1
InChIInChI=1S/C19H23N5O/c1-4-18(25)21-15-7-8-24(12-15)17-6-5-14(3)19(23-17)22-16-9-13(2)10-20-11-16/h4-6,9-11,15H,1,7-8,12H2,2-3H3,(H,21,25)(H,22,23)
InChIKeyHQWMYSRXCCJIMQ-UHFFFAOYSA-N
XLogP2.72
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-(3-methylanilino)-6-[3-(prop-2-enoylamino)pyrrolidin-1-yl]pyridine-3-carboxamide
CID 118039077
2-[4-(2,6-dimethylmorpholine-4-carbonyl)anilino]-6-[(3S)-3-(prop-2-enoylamino)pyrrolidin-1-yl]pyridine-3-carboxamide
CID 118043167
N-[1-(4-methoxyphenyl)pyrrolidin-3-yl]prop-2-enamide
CID 139018722
N-[1-[6-[(5-bromo-1-methyl-2-oxo-3-pyridinyl)amino]-2-pyridinyl]piperidin-3-yl]prop-2-enamide
CID 118116913
N-[1-[7-(4-phenoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrrolidin-3-yl]prop-2-enamide
CID 130294639
methyl N-[1-(5-bromo-6-methyl-2-pyridinyl)pyrrolidin-3-yl]carbamate
CID 113413422
3,5-dimethyl-N-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]pyridine-2-carboxamide
CID 136521831
[(3S)-1-(5-bromo-4-methyl-2-pyridinyl)pyrrolidin-3-yl]carbamic acid
CID 135345504
[(3R)-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]carbamic acid
CID 129161486
2-(4-cyclopropylphenyl)-2-methyl-N-[(3R)-1-(5-methyl-3-pyridinyl)pyrrolidin-3-yl]propanamide
CID 165077295
(9S)-5-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N-(5-methyl-3-pyridinyl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide
CID 118969139
N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]prop-2-enamide
CID 154865404

Frequently Asked Questions

What is the IUPAC name of N-[1-[5-methyl-6-[(5-methyl-3-pyridinyl)amino]-2-pyridinyl]pyrrolidin-3-yl]prop-2-enamide?
The IUPAC name of N-[1-[5-methyl-6-[(5-methyl-3-pyridinyl)amino]-2-pyridinyl]pyrrolidin-3-yl]prop-2-enamide (CID 138631731) is N-[1-[5-methyl-6-[(5-methyl-3-pyridinyl)amino]-2-pyridinyl]pyrrolidin-3-yl]prop-2-enamide.
What is the SMILES notation for N-[1-[5-methyl-6-[(5-methyl-3-pyridinyl)amino]-2-pyridinyl]pyrrolidin-3-yl]prop-2-enamide?
The canonical SMILES for N-[1-[5-methyl-6-[(5-methyl-3-pyridinyl)amino]-2-pyridinyl]pyrrolidin-3-yl]prop-2-enamide is C=CC(=O)NC1CCN(c2ccc(C)c(Nc3cncc(C)c3)n2)C1.
What is the InChIKey of N-[1-[5-methyl-6-[(5-methyl-3-pyridinyl)amino]-2-pyridinyl]pyrrolidin-3-yl]prop-2-enamide?
The InChIKey is HQWMYSRXCCJIMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O/c1-4-18(25)21-15-7-8-24(12-15)17-6-5-14(3)19(23-17)22-16-9-13(2)10-20-11-16/h4-6,9-11,15H,1,7-8,12H2,2-3H3,(H,21,25)(H,22,23).
What are the key properties of N-[1-[5-methyl-6-[(5-methyl-3-pyridinyl)amino]-2-pyridinyl]pyrrolidin-3-yl]prop-2-enamide?
N-[1-[5-methyl-6-[(5-methyl-3-pyridinyl)amino]-2-pyridinyl]pyrrolidin-3-yl]prop-2-enamide has a molecular weight of 337.43 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-methyl-6-[(5-methyl-3-pyridinyl)amino]-2-pyridinyl]pyrrolidin-3-yl]prop-2-enamide is sourced from PubChem (CID 138631731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).