N-[(3,4-difluorophenyl)methyl]-4-[2-(ethylamino)-5-methylpyrimidin-4-yl]-1H-pyrrole-2-carboxamide

C19H19F2N5O — CID 91899224

IUPACN-[(3,4-difluorophenyl)methyl]-4-[2-(ethylamino)-5-methylpyrimidin-4-yl]-1H-pyrrole-2-carboxamide
SMILESCCNc1ncc(C)c(-c2c[nH]c(C(=O)NCc3ccc(F)c(F)c3)c2)n1
InChIInChI=1S/C19H19F2N5O/c1-3-22-19-25-8-11(2)17(26-19)13-7-16(23-10-13)18(27)24-9-12-4-5-14(20)15(21)6-12/h4-8,10,23H,3,9H2,1-2H3,(H,24,27)(H,22,25,26)
InChIKeyDWBZVYKSSUDMBE-UHFFFAOYSA-N
MW371.39 g/mol
LogP3.42
Rot. Bonds6

About N-[(3,4-difluorophenyl)methyl]-4-[2-(ethylamino)-5-methylpyrimidin-4-yl]-1H-pyrrole-2-carboxamide

N-[(3,4-difluorophenyl)methyl]-4-[2-(ethylamino)-5-methylpyrimidin-4-yl]-1H-pyrrole-2-carboxamide (PubChem CID 91899224) has the molecular formula C19H19F2N5O and a molecular weight of 371.39 g/mol. Its IUPAC name is N-[(3,4-difluorophenyl)methyl]-4-[2-(ethylamino)-5-methylpyrimidin-4-yl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[(3,4-difluorophenyl)methyl]-4-[2-(ethylamino)-5-methylpyrimidin-4-yl]-1H-pyrrole-2-carboxamide
PubChem CID91899224
Molecular FormulaC19H19F2N5O
Molecular Weight371.39 g/mol
Exact Mass371.16
IUPAC NameN-[(3,4-difluorophenyl)methyl]-4-[2-(ethylamino)-5-methylpyrimidin-4-yl]-1H-pyrrole-2-carboxamide
SMILESCCNc1ncc(C)c(-c2c[nH]c(C(=O)NCc3ccc(F)c(F)c3)c2)n1
InChIInChI=1S/C19H19F2N5O/c1-3-22-19-25-8-11(2)17(26-19)13-7-16(23-10-13)18(27)24-9-12-4-5-14(20)15(21)6-12/h4-8,10,23H,3,9H2,1-2H3,(H,24,27)(H,22,25,26)
InChIKeyDWBZVYKSSUDMBE-UHFFFAOYSA-N
XLogP3.42
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 53.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[4-[2-(ethylamino)-5-methylpyrimidin-4-yl]-1H-pyrrole-2-carbonyl]amino]-2-phenylacetic acid
CID 22713666
methyl 2-[[4-[2-(ethylamino)-5-methylpyrimidin-4-yl]-1H-pyrrole-2-carbonyl]amino]-2-phenylacetate
CID 69429380
4-[2-(3,4-dimethylanilino)-5-methylpyrimidin-4-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrrole-2-carboxamide
CID 91899269
4-(2-amino-5-methylpyrimidin-4-yl)-N-[(2-fluorophenyl)methyl]-1H-pyrrole-2-carboxamide
CID 91899256
4-[2-(2-hydroxyethylamino)-5-methylpyrimidin-4-yl]-1H-pyrrole-2-carboxylic acid
CID 22713669
5-chloro-4-N-[(3,4-difluorophenyl)methyl]-2-N-ethylpyrimidine-2,4-diamine
CID 80805633
N-(2-hydroxy-1-phenylethyl)-4-[2-(2-hydroxypropylamino)-5-methylpyrimidin-4-yl]-1H-pyrrole-2-carboxamide
CID 90825766
4-[5-ethyl-2-(ethylamino)pyrimidin-4-yl]-N-[(1S)-2-hydroxy-1-phenylethyl]-1H-pyrrole-2-carboxamide
CID 91899239
fluoromethane;N-[(6-fluoro-5-methylcyclohepta-1,4,6-trien-1-yl)methyl]-4-(5-methyl-2-methylsulfanylpyrimidin-4-yl)-1H-pyrrole-2-carboxamide
CID 142825318
N-[(3,4-difluorophenyl)methyl]-3-methoxy-4-(1H-pyrazol-4-yl)benzamide
CID 85470509
5-N-[(3,4-difluorophenyl)methyl]-3-methyl-7-N-[(4-methylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 143588719
4-[2-(ethoxyamino)-5-methylpyrimidin-4-yl]-N-[(1S)-2-hydroxy-1-(3-methylphenyl)ethyl]-1H-pyrrole-2-carboxamide
CID 70701786

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-difluorophenyl)methyl]-4-[2-(ethylamino)-5-methylpyrimidin-4-yl]-1H-pyrrole-2-carboxamide?
The IUPAC name of N-[(3,4-difluorophenyl)methyl]-4-[2-(ethylamino)-5-methylpyrimidin-4-yl]-1H-pyrrole-2-carboxamide (CID 91899224) is N-[(3,4-difluorophenyl)methyl]-4-[2-(ethylamino)-5-methylpyrimidin-4-yl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-[(3,4-difluorophenyl)methyl]-4-[2-(ethylamino)-5-methylpyrimidin-4-yl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-[(3,4-difluorophenyl)methyl]-4-[2-(ethylamino)-5-methylpyrimidin-4-yl]-1H-pyrrole-2-carboxamide is CCNc1ncc(C)c(-c2c[nH]c(C(=O)NCc3ccc(F)c(F)c3)c2)n1.
What is the InChIKey of N-[(3,4-difluorophenyl)methyl]-4-[2-(ethylamino)-5-methylpyrimidin-4-yl]-1H-pyrrole-2-carboxamide?
The InChIKey is DWBZVYKSSUDMBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N5O/c1-3-22-19-25-8-11(2)17(26-19)13-7-16(23-10-13)18(27)24-9-12-4-5-14(20)15(21)6-12/h4-8,10,23H,3,9H2,1-2H3,(H,24,27)(H,22,25,26).
What are the key properties of N-[(3,4-difluorophenyl)methyl]-4-[2-(ethylamino)-5-methylpyrimidin-4-yl]-1H-pyrrole-2-carboxamide?
N-[(3,4-difluorophenyl)methyl]-4-[2-(ethylamino)-5-methylpyrimidin-4-yl]-1H-pyrrole-2-carboxamide has a molecular weight of 371.39 g/mol, XLogP of 3.42, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-difluorophenyl)methyl]-4-[2-(ethylamino)-5-methylpyrimidin-4-yl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 91899224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).