N-(3-anilinopropyl)pyrrolidine-3-carboxamide;dihydrochloride

C14H23Cl2N3O — CID 119867816

IUPACN-(3-anilinopropyl)pyrrolidine-3-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NCCCNc1ccccc1)C1CCNC1
InChIInChI=1S/C14H21N3O.2ClH/c18-14(12-7-10-15-11-12)17-9-4-8-16-13-5-2-1-3-6-13;;/h1-3,5-6,12,15-16H,4,7-11H2,(H,17,18);2*1H
InChIKeyIOTHGVSCWYQTIV-UHFFFAOYSA-N
MW320.26 g/mol
LogP2.06
Rot. Bonds6

About N-(3-anilinopropyl)pyrrolidine-3-carboxamide;dihydrochloride

N-(3-anilinopropyl)pyrrolidine-3-carboxamide;dihydrochloride (PubChem CID 119867816) has the molecular formula C14H23Cl2N3O and a molecular weight of 320.26 g/mol. Its IUPAC name is N-(3-anilinopropyl)pyrrolidine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-(3-anilinopropyl)pyrrolidine-3-carboxamide;dihydrochloride
PubChem CID119867816
Molecular FormulaC14H23Cl2N3O
Molecular Weight320.26 g/mol
Exact Mass319.12
IUPAC NameN-(3-anilinopropyl)pyrrolidine-3-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NCCCNc1ccccc1)C1CCNC1
InChIInChI=1S/C14H21N3O.2ClH/c18-14(12-7-10-15-11-12)17-9-4-8-16-13-5-2-1-3-6-13;;/h1-3,5-6,12,15-16H,4,7-11H2,(H,17,18);2*1H
InChIKeyIOTHGVSCWYQTIV-UHFFFAOYSA-N
XLogP2.06
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.26
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(pyridin-2-ylamino)propyl]pyrrolidine-3-carboxamide
CID 119854606
N-[4-(pyridin-2-ylamino)butyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 119874720
N-[4-(pyridin-2-ylamino)butyl]pyrrolidine-3-carboxamide
CID 119874721
N-[3-(N-methylanilino)propyl]pyrrolidine-3-carboxamide
CID 63005380
N-(2-anilino-2-oxoethyl)pyrrolidine-3-carboxamide
CID 119738367
N-[4-(2-phenylethoxy)butyl]pyrrolidine-3-carboxamide
CID 119731795
N-[3-[(5-methyl-2-pyridinyl)amino]propyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 119888081
N-(4,4,4-trifluorobutyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119781584
(3S)-N-benzylpyrrolidine-3-carboxamide
CID 94915415
N-[3-(N-ethylanilino)propyl]pyrrolidine-3-carboxamide
CID 63005189
(2R)-N-(3-anilinopropyl)piperidine-2-carboxamide
CID 119867761
N-(2-fluoroethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 87325134

Frequently Asked Questions

What is the IUPAC name of N-(3-anilinopropyl)pyrrolidine-3-carboxamide;dihydrochloride?
The IUPAC name of N-(3-anilinopropyl)pyrrolidine-3-carboxamide;dihydrochloride (CID 119867816) is N-(3-anilinopropyl)pyrrolidine-3-carboxamide;dihydrochloride.
What is the SMILES notation for N-(3-anilinopropyl)pyrrolidine-3-carboxamide;dihydrochloride?
The canonical SMILES for N-(3-anilinopropyl)pyrrolidine-3-carboxamide;dihydrochloride is Cl.Cl.O=C(NCCCNc1ccccc1)C1CCNC1.
What is the InChIKey of N-(3-anilinopropyl)pyrrolidine-3-carboxamide;dihydrochloride?
The InChIKey is IOTHGVSCWYQTIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O.2ClH/c18-14(12-7-10-15-11-12)17-9-4-8-16-13-5-2-1-3-6-13;;/h1-3,5-6,12,15-16H,4,7-11H2,(H,17,18);2*1H.
What are the key properties of N-(3-anilinopropyl)pyrrolidine-3-carboxamide;dihydrochloride?
N-(3-anilinopropyl)pyrrolidine-3-carboxamide;dihydrochloride has a molecular weight of 320.26 g/mol, XLogP of 2.06, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-anilinopropyl)pyrrolidine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 119867816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).