4-amino-1-cyclopropyl-N-hex-5-ynylpyrrole-2-carboxamide

C14H19N3O — CID 114158303

IUPAC4-amino-1-cyclopropyl-N-hex-5-ynylpyrrole-2-carboxamide
SMILESC#CCCCCNC(=O)c1cc(N)cn1C1CC1
InChIInChI=1S/C14H19N3O/c1-2-3-4-5-8-16-14(18)13-9-11(15)10-17(13)12-6-7-12/h1,9-10,12H,3-8,15H2,(H,16,18)
InChIKeyRWXBYGXKLMNKCD-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.94
Rot. Bonds6

About 4-amino-1-cyclopropyl-N-hex-5-ynylpyrrole-2-carboxamide

4-amino-1-cyclopropyl-N-hex-5-ynylpyrrole-2-carboxamide (PubChem CID 114158303) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 4-amino-1-cyclopropyl-N-hex-5-ynylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-1-cyclopropyl-N-hex-5-ynylpyrrole-2-carboxamide
PubChem CID114158303
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name4-amino-1-cyclopropyl-N-hex-5-ynylpyrrole-2-carboxamide
SMILESC#CCCCCNC(=O)c1cc(N)cn1C1CC1
InChIInChI=1S/C14H19N3O/c1-2-3-4-5-8-16-14(18)13-9-11(15)10-17(13)12-6-7-12/h1,9-10,12H,3-8,15H2,(H,16,18)
InChIKeyRWXBYGXKLMNKCD-UHFFFAOYSA-N
XLogP1.94
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Netropsin
CID 4461
N-propargyl-1H-pyrrole-2-carboxamide
CID 16110305
N-cyclohexyl-1-methylpyrrole-2-carboxamide
CID 24978957
Netropsin dihydrochloride
CID 5351456
N-methyl-N-(prop-2-yn-1-yl)-1H-pyrrole-2-carboxamide
CID 11008237
N,1-dimethyl-N-(prop-2-yn-1-yl)-1H-pyrrole-2-carboxamide
CID 16110301
4-acetamido-N-[5-[[5-[3-(dimethylamino)propylcarbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]-1-methyl-pyrrole-2-carboxamide
CID 406398
Netropsin Hydrochloride
CID 149025
Kikumycin B
CID 135618191
Anthelvencin B
CID 14039041
4-(2-bromoprop-2-enoylamino)-N-(2-cyanoethyl)-1-methylpyrrole-2-carboxamide
CID 44282634
4-(2-bromoprop-2-enoylamino)-1-methyl-N-phenylpyrrole-2-carboxamide
CID 44282859

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-cyclopropyl-N-hex-5-ynylpyrrole-2-carboxamide?
The IUPAC name of 4-amino-1-cyclopropyl-N-hex-5-ynylpyrrole-2-carboxamide (CID 114158303) is 4-amino-1-cyclopropyl-N-hex-5-ynylpyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-1-cyclopropyl-N-hex-5-ynylpyrrole-2-carboxamide?
The canonical SMILES for 4-amino-1-cyclopropyl-N-hex-5-ynylpyrrole-2-carboxamide is C#CCCCCNC(=O)c1cc(N)cn1C1CC1.
What is the InChIKey of 4-amino-1-cyclopropyl-N-hex-5-ynylpyrrole-2-carboxamide?
The InChIKey is RWXBYGXKLMNKCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-2-3-4-5-8-16-14(18)13-9-11(15)10-17(13)12-6-7-12/h1,9-10,12H,3-8,15H2,(H,16,18).
What are the key properties of 4-amino-1-cyclopropyl-N-hex-5-ynylpyrrole-2-carboxamide?
4-amino-1-cyclopropyl-N-hex-5-ynylpyrrole-2-carboxamide has a molecular weight of 245.33 g/mol, XLogP of 1.94, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-cyclopropyl-N-hex-5-ynylpyrrole-2-carboxamide is sourced from PubChem (CID 114158303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).