N-[3-[(3-methylfuran-2-carbonyl)amino]propyl]pyrrolidine-3-carboxamide

C14H21N3O3 — CID 119798376

IUPACN-[3-[(3-methylfuran-2-carbonyl)amino]propyl]pyrrolidine-3-carboxamide
SMILESCc1ccoc1C(=O)NCCCNC(=O)C1CCNC1
InChIInChI=1S/C14H21N3O3/c1-10-4-8-20-12(10)14(19)17-6-2-5-16-13(18)11-3-7-15-9-11/h4,8,11,15H,2-3,5-7,9H2,1H3,(H,16,18)(H,17,19)
InChIKeyCFCXORWYDCXZAM-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.43
Rot. Bonds6

About N-[3-[(3-methylfuran-2-carbonyl)amino]propyl]pyrrolidine-3-carboxamide

N-[3-[(3-methylfuran-2-carbonyl)amino]propyl]pyrrolidine-3-carboxamide (PubChem CID 119798376) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is N-[3-[(3-methylfuran-2-carbonyl)amino]propyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[(3-methylfuran-2-carbonyl)amino]propyl]pyrrolidine-3-carboxamide
PubChem CID119798376
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC NameN-[3-[(3-methylfuran-2-carbonyl)amino]propyl]pyrrolidine-3-carboxamide
SMILESCc1ccoc1C(=O)NCCCNC(=O)C1CCNC1
InChIInChI=1S/C14H21N3O3/c1-10-4-8-20-12(10)14(19)17-6-2-5-16-13(18)11-3-7-15-9-11/h4,8,11,15H,2-3,5-7,9H2,1H3,(H,16,18)(H,17,19)
InChIKeyCFCXORWYDCXZAM-UHFFFAOYSA-N
XLogP0.43
TPSA83.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-N-[3-(3-piperidin-4-ylbutanoylamino)propyl]furan-2-carboxamide
CID 119798362
N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]pyrrolidine-3-carboxamide
CID 119704149
N-[3-[[2-(cyclopropylmethylamino)acetyl]amino]propyl]-3-methylfuran-2-carboxamide;hydrochloride
CID 119798351
N-(4-bromobutyl)-3-methylfuran-2-carboxamide
CID 106845761
N-(3-anilinopropyl)pyrrolidine-3-carboxamide;dihydrochloride
CID 119867816
5-[3-[(3-methylfuran-2-carbonyl)amino]propylcarbamoyl]thiophene-2-carboxylic acid
CID 119186184
N-[3-[(5-methyl-2-pyridinyl)amino]propyl]pyrrolidine-3-carboxamide
CID 119888082
N-[3-[[amino-(cyclohexylamino)methylidene]amino]propyl]-3-methylfuran-2-carboxamide;hydroiodide
CID 111817799
N-[3-[(5-methyl-2-pyridinyl)amino]propyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 119888081
N-[3-(2-bromoethoxy)propyl]-3-methylfuran-2-carboxamide
CID 106307161
3,9-diazabicyclo[4.2.1]nonan-9-yl-(3-methylfuran-2-yl)methanone
CID 75595619
N-tetradecylpyrrolidine-3-carboxamide;hydrochloride
CID 154586688

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3-methylfuran-2-carbonyl)amino]propyl]pyrrolidine-3-carboxamide?
The IUPAC name of N-[3-[(3-methylfuran-2-carbonyl)amino]propyl]pyrrolidine-3-carboxamide (CID 119798376) is N-[3-[(3-methylfuran-2-carbonyl)amino]propyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[3-[(3-methylfuran-2-carbonyl)amino]propyl]pyrrolidine-3-carboxamide?
The canonical SMILES for N-[3-[(3-methylfuran-2-carbonyl)amino]propyl]pyrrolidine-3-carboxamide is Cc1ccoc1C(=O)NCCCNC(=O)C1CCNC1.
What is the InChIKey of N-[3-[(3-methylfuran-2-carbonyl)amino]propyl]pyrrolidine-3-carboxamide?
The InChIKey is CFCXORWYDCXZAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-10-4-8-20-12(10)14(19)17-6-2-5-16-13(18)11-3-7-15-9-11/h4,8,11,15H,2-3,5-7,9H2,1H3,(H,16,18)(H,17,19).
What are the key properties of N-[3-[(3-methylfuran-2-carbonyl)amino]propyl]pyrrolidine-3-carboxamide?
N-[3-[(3-methylfuran-2-carbonyl)amino]propyl]pyrrolidine-3-carboxamide has a molecular weight of 279.34 g/mol, XLogP of 0.43, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3-methylfuran-2-carbonyl)amino]propyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 119798376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).