N-[4-(pyridin-2-ylamino)butyl]pyrrolidine-3-carboxamide;dihydrochloride

C14H24Cl2N4O — CID 119874720

IUPACN-[4-(pyridin-2-ylamino)butyl]pyrrolidine-3-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NCCCCNc1ccccn1)C1CCNC1
InChIInChI=1S/C14H22N4O.2ClH/c19-14(12-6-10-15-11-12)18-9-4-3-8-17-13-5-1-2-7-16-13;;/h1-2,5,7,12,15H,3-4,6,8-11H2,(H,16,17)(H,18,19);2*1H
InChIKeyQXDUJJCEMMIZIQ-UHFFFAOYSA-N
MW335.28 g/mol
LogP1.84
Rot. Bonds7

About N-[4-(pyridin-2-ylamino)butyl]pyrrolidine-3-carboxamide;dihydrochloride

N-[4-(pyridin-2-ylamino)butyl]pyrrolidine-3-carboxamide;dihydrochloride (PubChem CID 119874720) has the molecular formula C14H24Cl2N4O and a molecular weight of 335.28 g/mol. Its IUPAC name is N-[4-(pyridin-2-ylamino)butyl]pyrrolidine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[4-(pyridin-2-ylamino)butyl]pyrrolidine-3-carboxamide;dihydrochloride
PubChem CID119874720
Molecular FormulaC14H24Cl2N4O
Molecular Weight335.28 g/mol
Exact Mass334.13
IUPAC NameN-[4-(pyridin-2-ylamino)butyl]pyrrolidine-3-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NCCCCNc1ccccn1)C1CCNC1
InChIInChI=1S/C14H22N4O.2ClH/c19-14(12-6-10-15-11-12)18-9-4-3-8-17-13-5-1-2-7-16-13;;/h1-2,5,7,12,15H,3-4,6,8-11H2,(H,16,17)(H,18,19);2*1H
InChIKeyQXDUJJCEMMIZIQ-UHFFFAOYSA-N
XLogP1.84
TPSA66.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.28
LogP ≤ 51.84
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

N-[4-(pyridin-2-ylamino)butyl]pyrrolidine-3-carboxamide
CID 119874721
N-[3-(pyridin-2-ylamino)propyl]pyrrolidine-3-carboxamide
CID 119854606
N-[3-[(5-methyl-2-pyridinyl)amino]propyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 119888081
N-(3-anilinopropyl)pyrrolidine-3-carboxamide;dihydrochloride
CID 119867816
N-[3-[(5-methyl-2-pyridinyl)amino]propyl]pyrrolidine-3-carboxamide
CID 119888082
N-[(3-methyl-2-pyridinyl)methyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 119869411
N-(3-pyridin-2-ylpropyl)azepane-4-carboxamide;dihydrochloride
CID 154910386
N-[4-(pyridin-2-ylamino)butyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119874683
3-piperidin-4-yl-N-[3-(pyridin-2-ylamino)propyl]butanamide
CID 119854588
N-[4-(2-phenylethoxy)butyl]pyrrolidine-3-carboxamide
CID 119731795
N-[3-(pyridin-2-ylamino)propyl]morpholine-3-carboxamide
CID 119854546
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(pyridin-2-ylamino)propyl]acetamide;dihydrochloride
CID 119854577

Frequently Asked Questions

What is the IUPAC name of N-[4-(pyridin-2-ylamino)butyl]pyrrolidine-3-carboxamide;dihydrochloride?
The IUPAC name of N-[4-(pyridin-2-ylamino)butyl]pyrrolidine-3-carboxamide;dihydrochloride (CID 119874720) is N-[4-(pyridin-2-ylamino)butyl]pyrrolidine-3-carboxamide;dihydrochloride.
What is the SMILES notation for N-[4-(pyridin-2-ylamino)butyl]pyrrolidine-3-carboxamide;dihydrochloride?
The canonical SMILES for N-[4-(pyridin-2-ylamino)butyl]pyrrolidine-3-carboxamide;dihydrochloride is Cl.Cl.O=C(NCCCCNc1ccccn1)C1CCNC1.
What is the InChIKey of N-[4-(pyridin-2-ylamino)butyl]pyrrolidine-3-carboxamide;dihydrochloride?
The InChIKey is QXDUJJCEMMIZIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O.2ClH/c19-14(12-6-10-15-11-12)18-9-4-3-8-17-13-5-1-2-7-16-13;;/h1-2,5,7,12,15H,3-4,6,8-11H2,(H,16,17)(H,18,19);2*1H.
What are the key properties of N-[4-(pyridin-2-ylamino)butyl]pyrrolidine-3-carboxamide;dihydrochloride?
N-[4-(pyridin-2-ylamino)butyl]pyrrolidine-3-carboxamide;dihydrochloride has a molecular weight of 335.28 g/mol, XLogP of 1.84, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(pyridin-2-ylamino)butyl]pyrrolidine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 119874720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).