N-(2-aminopropyl)-4-chloro-1H-pyrrole-2-carboxamide

C8H12ClN3O — CID 63732311

IUPACN-(2-aminopropyl)-4-chloro-1H-pyrrole-2-carboxamide
SMILESCC(N)CNC(=O)c1cc(Cl)c[nH]1
InChIInChI=1S/C8H12ClN3O/c1-5(10)3-12-8(13)7-2-6(9)4-11-7/h2,4-5,11H,3,10H2,1H3,(H,12,13)
InChIKeyYMLQWKHGVHLXFD-UHFFFAOYSA-N
MW201.66 g/mol
LogP0.75
Rot. Bonds3

About N-(2-aminopropyl)-4-chloro-1H-pyrrole-2-carboxamide

N-(2-aminopropyl)-4-chloro-1H-pyrrole-2-carboxamide (PubChem CID 63732311) has the molecular formula C8H12ClN3O and a molecular weight of 201.66 g/mol. Its IUPAC name is N-(2-aminopropyl)-4-chloro-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(2-aminopropyl)-4-chloro-1H-pyrrole-2-carboxamide
PubChem CID63732311
Molecular FormulaC8H12ClN3O
Molecular Weight201.66 g/mol
Exact Mass201.07
IUPAC NameN-(2-aminopropyl)-4-chloro-1H-pyrrole-2-carboxamide
SMILESCC(N)CNC(=O)c1cc(Cl)c[nH]1
InChIInChI=1S/C8H12ClN3O/c1-5(10)3-12-8(13)7-2-6(9)4-11-7/h2,4-5,11H,3,10H2,1H3,(H,12,13)
InChIKeyYMLQWKHGVHLXFD-UHFFFAOYSA-N
XLogP0.75
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.66
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-3-[(4-chloro-1H-pyrrole-2-carbonyl)amino]-2-methylpropanoic acid
CID 94540993
4-chloro-N-(3-hydroxybutan-2-yl)-1H-pyrrole-2-carboxamide
CID 130921065
methyl 2-[(4-chloro-1H-pyrrole-2-carbonyl)amino]-3-methylbutanoate
CID 43422679
N-(2-aminopropyl)-1H-pyrrole-2-carboxamide
CID 63732088
(2R)-2-[(4-chloro-1H-pyrrole-2-carbonyl)amino]-4-methylpentanoic acid
CID 30064551
4-chloro-N-[(2S)-1-hydroxybutan-2-yl]-1H-pyrrole-2-carboxamide
CID 104981075
4-chloro-N-[(2-hydroxyphenyl)methyl]-1H-pyrrole-2-carboxamide
CID 115598815
4-amino-N-(2-hydroxypropyl)-1H-pyrrole-2-carboxamide
CID 43643618
4-chloro-N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1H-pyrrole-2-carboxamide
CID 86918117
4-chloro-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]-1H-pyrrole-2-carboxamide
CID 119068538
4-chloro-N-(4-hydroxy-1-methoxybutan-2-yl)-1H-pyrrole-2-carboxamide
CID 103799622
4-[(4-chloro-1H-pyrrole-2-carbonyl)amino]-3-hydroxy-3-methylbutanoic acid
CID 66001912

Frequently Asked Questions

What is the IUPAC name of N-(2-aminopropyl)-4-chloro-1H-pyrrole-2-carboxamide?
The IUPAC name of N-(2-aminopropyl)-4-chloro-1H-pyrrole-2-carboxamide (CID 63732311) is N-(2-aminopropyl)-4-chloro-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-(2-aminopropyl)-4-chloro-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-(2-aminopropyl)-4-chloro-1H-pyrrole-2-carboxamide is CC(N)CNC(=O)c1cc(Cl)c[nH]1.
What is the InChIKey of N-(2-aminopropyl)-4-chloro-1H-pyrrole-2-carboxamide?
The InChIKey is YMLQWKHGVHLXFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClN3O/c1-5(10)3-12-8(13)7-2-6(9)4-11-7/h2,4-5,11H,3,10H2,1H3,(H,12,13).
What are the key properties of N-(2-aminopropyl)-4-chloro-1H-pyrrole-2-carboxamide?
N-(2-aminopropyl)-4-chloro-1H-pyrrole-2-carboxamide has a molecular weight of 201.66 g/mol, XLogP of 0.75, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminopropyl)-4-chloro-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 63732311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).