1-(cyclopropylmethyl)-4-[2-(dimethylamino)pyrimidin-5-yl]-N-(3-methoxyphenyl)pyrrole-2-carboxamide

C22H25N5O2 — CID 95043029

IUPAC1-(cyclopropylmethyl)-4-[2-(dimethylamino)pyrimidin-5-yl]-N-(3-methoxyphenyl)pyrrole-2-carboxamide
SMILESCOc1cccc(NC(=O)c2cc(-c3cnc(N(C)C)nc3)cn2CC2CC2)c1
InChIInChI=1S/C22H25N5O2/c1-26(2)22-23-11-17(12-24-22)16-9-20(27(14-16)13-15-7-8-15)21(28)25-18-5-4-6-19(10-18)29-3/h4-6,9-12,14-15H,7-8,13H2,1-3H3,(H,25,28)
InChIKeyKLMLAZITXMZFCD-UHFFFAOYSA-N
MW391.48 g/mol
LogP3.68
Rot. Bonds7

About 1-(cyclopropylmethyl)-4-[2-(dimethylamino)pyrimidin-5-yl]-N-(3-methoxyphenyl)pyrrole-2-carboxamide

1-(cyclopropylmethyl)-4-[2-(dimethylamino)pyrimidin-5-yl]-N-(3-methoxyphenyl)pyrrole-2-carboxamide (PubChem CID 95043029) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-4-[2-(dimethylamino)pyrimidin-5-yl]-N-(3-methoxyphenyl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-4-[2-(dimethylamino)pyrimidin-5-yl]-N-(3-methoxyphenyl)pyrrole-2-carboxamide
PubChem CID95043029
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC Name1-(cyclopropylmethyl)-4-[2-(dimethylamino)pyrimidin-5-yl]-N-(3-methoxyphenyl)pyrrole-2-carboxamide
SMILESCOc1cccc(NC(=O)c2cc(-c3cnc(N(C)C)nc3)cn2CC2CC2)c1
InChIInChI=1S/C22H25N5O2/c1-26(2)22-23-11-17(12-24-22)16-9-20(27(14-16)13-15-7-8-15)21(28)25-18-5-4-6-19(10-18)29-3/h4-6,9-12,14-15H,7-8,13H2,1-3H3,(H,25,28)
InChIKeyKLMLAZITXMZFCD-UHFFFAOYSA-N
XLogP3.68
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(cyclopropylmethyl)-4-[2-(dimethylamino)pyrimidin-5-yl]-N-(3-methylphenyl)pyrrole-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155850190
1-(cyclopropylmethyl)-N-(6-methyl-3-pyridinyl)-4-(2-pyridin-3-ylpyrimidin-5-yl)pyrrole-2-carboxamide
CID 97385255
N-(3-methoxyphenyl)-2,5-dimethylpyrazole-3-carboxamide
CID 19481236
4-amino-N-(3-ethoxyphenyl)-1-ethylpyrrole-2-carboxamide
CID 61103176
5-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(3-methoxyphenyl)pyridine-2-carboxamide
CID 109193321
N-(3-methoxyphenyl)isoquinoline-3-carboxamide
CID 110859992
2-bromo-N-[2-(dimethylamino)pyrimidin-5-yl]-5-methoxybenzamide
CID 122298027
2-[(5-fluoropyrimidin-2-yl)-methylamino]-N-(3-methoxyphenyl)acetamide
CID 86780450
N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119918913
2-[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]-N-(3-methoxyphenyl)acetamide
CID 55864033
5-(cycloheptylamino)-N-(3-methoxyphenyl)pyridine-3-carboxamide
CID 109239626
1-(azetidin-3-yl)-3-(3-methoxyphenyl)-1-methylurea
CID 66187335

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-4-[2-(dimethylamino)pyrimidin-5-yl]-N-(3-methoxyphenyl)pyrrole-2-carboxamide?
The IUPAC name of 1-(cyclopropylmethyl)-4-[2-(dimethylamino)pyrimidin-5-yl]-N-(3-methoxyphenyl)pyrrole-2-carboxamide (CID 95043029) is 1-(cyclopropylmethyl)-4-[2-(dimethylamino)pyrimidin-5-yl]-N-(3-methoxyphenyl)pyrrole-2-carboxamide.
What is the SMILES notation for 1-(cyclopropylmethyl)-4-[2-(dimethylamino)pyrimidin-5-yl]-N-(3-methoxyphenyl)pyrrole-2-carboxamide?
The canonical SMILES for 1-(cyclopropylmethyl)-4-[2-(dimethylamino)pyrimidin-5-yl]-N-(3-methoxyphenyl)pyrrole-2-carboxamide is COc1cccc(NC(=O)c2cc(-c3cnc(N(C)C)nc3)cn2CC2CC2)c1.
What is the InChIKey of 1-(cyclopropylmethyl)-4-[2-(dimethylamino)pyrimidin-5-yl]-N-(3-methoxyphenyl)pyrrole-2-carboxamide?
The InChIKey is KLMLAZITXMZFCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-26(2)22-23-11-17(12-24-22)16-9-20(27(14-16)13-15-7-8-15)21(28)25-18-5-4-6-19(10-18)29-3/h4-6,9-12,14-15H,7-8,13H2,1-3H3,(H,25,28).
What are the key properties of 1-(cyclopropylmethyl)-4-[2-(dimethylamino)pyrimidin-5-yl]-N-(3-methoxyphenyl)pyrrole-2-carboxamide?
1-(cyclopropylmethyl)-4-[2-(dimethylamino)pyrimidin-5-yl]-N-(3-methoxyphenyl)pyrrole-2-carboxamide has a molecular weight of 391.48 g/mol, XLogP of 3.68, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-4-[2-(dimethylamino)pyrimidin-5-yl]-N-(3-methoxyphenyl)pyrrole-2-carboxamide is sourced from PubChem (CID 95043029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).