N-(1-amino-2-cyclopropylpropan-2-yl)-2,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide;dihydrochloride

C19H28Cl2N4O — CID 119574320

IUPACN-(1-amino-2-cyclopropylpropan-2-yl)-2,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide;dihydrochloride
SMILESCc1cc(C(=O)NC(C)(CN)C2CC2)c(C)n1Cc1ccccn1.Cl.Cl
InChIInChI=1S/C19H26N4O.2ClH/c1-13-10-17(18(24)22-19(3,12-20)15-7-8-15)14(2)23(13)11-16-6-4-5-9-21-16;;/h4-6,9-10,15H,7-8,11-12,20H2,1-3H3,(H,22,24);2*1H
InChIKeyPWHBYITYBDBBQX-UHFFFAOYSA-N
MW399.37 g/mol
LogP3.25
Rot. Bonds6

About N-(1-amino-2-cyclopropylpropan-2-yl)-2,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide;dihydrochloride

N-(1-amino-2-cyclopropylpropan-2-yl)-2,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide;dihydrochloride (PubChem CID 119574320) has the molecular formula C19H28Cl2N4O and a molecular weight of 399.37 g/mol. Its IUPAC name is N-(1-amino-2-cyclopropylpropan-2-yl)-2,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-(1-amino-2-cyclopropylpropan-2-yl)-2,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide;dihydrochloride
PubChem CID119574320
Molecular FormulaC19H28Cl2N4O
Molecular Weight399.37 g/mol
Exact Mass398.16
IUPAC NameN-(1-amino-2-cyclopropylpropan-2-yl)-2,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide;dihydrochloride
SMILESCc1cc(C(=O)NC(C)(CN)C2CC2)c(C)n1Cc1ccccn1.Cl.Cl
InChIInChI=1S/C19H26N4O.2ClH/c1-13-10-17(18(24)22-19(3,12-20)15-7-8-15)14(2)23(13)11-16-6-4-5-9-21-16;;/h4-6,9-10,15H,7-8,11-12,20H2,1-3H3,(H,22,24);2*1H
InChIKeyPWHBYITYBDBBQX-UHFFFAOYSA-N
XLogP3.25
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.37
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(1-amino-2-cyclopropylpropan-2-yl)-2,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide;dihydrochloride with MolForge

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Related Compounds

N-(1-amino-2-cyclopropylpropan-2-yl)-1-benzyl-2,5-dimethylpyrrole-3-carboxamide
CID 119573875
2,5-dimethyl-N-(4-methylcyclohexyl)-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide
CID 39907744
2-[[2,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrole-3-carbonyl]amino]propanoic acid
CID 119348636
N-(3-amino-2-methylpropyl)-2,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide
CID 119996967
2,5-dimethyl-N-(2-piperidin-3-ylethyl)-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide;dihydrochloride
CID 119557511
[3-(aminomethyl)pyrrolidin-1-yl]-[2,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrol-3-yl]methanone
CID 119485504
2,5-dimethyl-N-(2-methyl-2-morpholin-4-ylpropyl)-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide
CID 86983302
[2,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrol-3-yl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;dihydrochloride
CID 119545084
2,5-dimethyl-N-[(6-methyl-2-pyridinyl)methyl]-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide
CID 86820807
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide
CID 78871414
(2S)-1-[2,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrole-3-carbonyl]pyrrolidine-2-carboxylic acid
CID 119365218
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide
CID 78864355

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-2,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide;dihydrochloride?
The IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-2,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide;dihydrochloride (CID 119574320) is N-(1-amino-2-cyclopropylpropan-2-yl)-2,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide;dihydrochloride.
What is the SMILES notation for N-(1-amino-2-cyclopropylpropan-2-yl)-2,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide;dihydrochloride?
The canonical SMILES for N-(1-amino-2-cyclopropylpropan-2-yl)-2,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide;dihydrochloride is Cc1cc(C(=O)NC(C)(CN)C2CC2)c(C)n1Cc1ccccn1.Cl.Cl.
What is the InChIKey of N-(1-amino-2-cyclopropylpropan-2-yl)-2,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide;dihydrochloride?
The InChIKey is PWHBYITYBDBBQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O.2ClH/c1-13-10-17(18(24)22-19(3,12-20)15-7-8-15)14(2)23(13)11-16-6-4-5-9-21-16;;/h4-6,9-10,15H,7-8,11-12,20H2,1-3H3,(H,22,24);2*1H.
What are the key properties of N-(1-amino-2-cyclopropylpropan-2-yl)-2,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide;dihydrochloride?
N-(1-amino-2-cyclopropylpropan-2-yl)-2,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide;dihydrochloride has a molecular weight of 399.37 g/mol, XLogP of 3.25, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-cyclopropylpropan-2-yl)-2,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide;dihydrochloride is sourced from PubChem (CID 119574320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).