3-amino-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride

C18H28Cl2N4O — CID 119841536

IUPAC3-amino-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride
SMILESCl.Cl.NC1C2CCC(C2)C1C(=O)NCc1ccnc(N2CCCC2)c1
InChIInChI=1S/C18H26N4O.2ClH/c19-17-14-4-3-13(10-14)16(17)18(23)21-11-12-5-6-20-15(9-12)22-7-1-2-8-22;;/h5-6,9,13-14,16-17H,1-4,7-8,10-11,19H2,(H,21,23);2*1H
InChIKeyCJZLPHNDJYBETP-UHFFFAOYSA-N
MW387.36 g/mol
LogP2.52
Rot. Bonds4

About 3-amino-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride

3-amino-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride (PubChem CID 119841536) has the molecular formula C18H28Cl2N4O and a molecular weight of 387.36 g/mol. Its IUPAC name is 3-amino-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride
PubChem CID119841536
Molecular FormulaC18H28Cl2N4O
Molecular Weight387.36 g/mol
Exact Mass386.16
IUPAC Name3-amino-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride
SMILESCl.Cl.NC1C2CCC(C2)C1C(=O)NCc1ccnc(N2CCCC2)c1
InChIInChI=1S/C18H26N4O.2ClH/c19-17-14-4-3-13(10-14)16(17)18(23)21-11-12-5-6-20-15(9-12)22-7-1-2-8-22;;/h5-6,9,13-14,16-17H,1-4,7-8,10-11,19H2,(H,21,23);2*1H
InChIKeyCJZLPHNDJYBETP-UHFFFAOYSA-N
XLogP2.52
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.36
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-amino-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride with MolForge

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Related Compounds

3-amino-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride
CID 119841355
3-amino-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide;trihydrochloride
CID 119901475
3-amino-N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119846500
N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;dihydrochloride
CID 119841546
3-amino-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119694814
3-amino-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]propanamide
CID 119841583
4-amino-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]butanamide;dihydrochloride
CID 119841403
3-amino-N-[(4-fluorophenyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119675800
(2R)-1-prop-2-ynyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]piperidine-2-carboxamide
CID 94648602
3-amino-N-[(3-carbamoylphenyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119719919
(3R)-1-methyl-5-oxo-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]pyrrolidine-3-carboxamide
CID 97311922
(2S,3S)-2-methyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 36758529

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride?
The IUPAC name of 3-amino-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride (CID 119841536) is 3-amino-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride.
What is the SMILES notation for 3-amino-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride?
The canonical SMILES for 3-amino-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride is Cl.Cl.NC1C2CCC(C2)C1C(=O)NCc1ccnc(N2CCCC2)c1.
What is the InChIKey of 3-amino-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride?
The InChIKey is CJZLPHNDJYBETP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O.2ClH/c19-17-14-4-3-13(10-14)16(17)18(23)21-11-12-5-6-20-15(9-12)22-7-1-2-8-22;;/h5-6,9,13-14,16-17H,1-4,7-8,10-11,19H2,(H,21,23);2*1H.
What are the key properties of 3-amino-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride?
3-amino-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride has a molecular weight of 387.36 g/mol, XLogP of 2.52, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride is sourced from PubChem (CID 119841536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).