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N-[4-[[(3-aminocyclopentanecarbonyl)amino]methyl]phenyl]pyridine-3-carboxamide;dihydrochloride

C19H24Cl2N4O2 — CID 119870450

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-[4-[[(3-aminocyclopentanecarbonyl)amino]methyl]phenyl]pyridine-3-carboxamide;dihydrochloride
SMILESCl.Cl.NC1CCC(C(=O)NCc2ccc(NC(=O)c3cccnc3)cc2)C1
InChIInChI=1S/C19H22N4O2.2ClH/c20-16-6-5-14(10-16)18(24)22-11-13-3-7-17(8-4-13)23-19(25)15-2-1-9-21-12-15;;/h1-4,7-9,12,14,16H,5-6,10-11,20H2,(H,22,24)(H,23,25);2*1H
InChIKeyKKIKMLIESLRDQS-UHFFFAOYSA-N
MW411.33 g/mol
LogP2.92
Rot. Bonds5

About N-[4-[[(3-aminocyclopentanecarbonyl)amino]methyl]phenyl]pyridine-3-carboxamide;dihydrochloride

N-[4-[[(3-aminocyclopentanecarbonyl)amino]methyl]phenyl]pyridine-3-carboxamide;dihydrochloride (PubChem CID 119870450) has the molecular formula C19H24Cl2N4O2 and a molecular weight of 411.33 g/mol. Its IUPAC name is N-[4-[[(3-aminocyclopentanecarbonyl)amino]methyl]phenyl]pyridine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[4-[[(3-aminocyclopentanecarbonyl)amino]methyl]phenyl]pyridine-3-carboxamide;dihydrochloride
PubChem CID119870450
Molecular FormulaC19H24Cl2N4O2
Molecular Weight411.33 g/mol
Exact Mass410.13
IUPAC NameN-[4-[[(3-aminocyclopentanecarbonyl)amino]methyl]phenyl]pyridine-3-carboxamide;dihydrochloride
SMILESCl.Cl.NC1CCC(C(=O)NCc2ccc(NC(=O)c3cccnc3)cc2)C1
InChIInChI=1S/C19H22N4O2.2ClH/c20-16-6-5-14(10-16)18(24)22-11-13-3-7-17(8-4-13)23-19(25)15-2-1-9-21-12-15;;/h1-4,7-9,12,14,16H,5-6,10-11,20H2,(H,22,24)(H,23,25);2*1H
InChIKeyKKIKMLIESLRDQS-UHFFFAOYSA-N
XLogP2.92
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.33
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[(3-aminocyclopentanecarbonyl)amino]methyl]phenyl]pyridine-3-carboxamide;dihydrochloride?
The IUPAC name of N-[4-[[(3-aminocyclopentanecarbonyl)amino]methyl]phenyl]pyridine-3-carboxamide;dihydrochloride (CID 119870450) is N-[4-[[(3-aminocyclopentanecarbonyl)amino]methyl]phenyl]pyridine-3-carboxamide;dihydrochloride.
What is the SMILES notation for N-[4-[[(3-aminocyclopentanecarbonyl)amino]methyl]phenyl]pyridine-3-carboxamide;dihydrochloride?
The canonical SMILES for N-[4-[[(3-aminocyclopentanecarbonyl)amino]methyl]phenyl]pyridine-3-carboxamide;dihydrochloride is Cl.Cl.NC1CCC(C(=O)NCc2ccc(NC(=O)c3cccnc3)cc2)C1.
What is the InChIKey of N-[4-[[(3-aminocyclopentanecarbonyl)amino]methyl]phenyl]pyridine-3-carboxamide;dihydrochloride?
The InChIKey is KKIKMLIESLRDQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2.2ClH/c20-16-6-5-14(10-16)18(24)22-11-13-3-7-17(8-4-13)23-19(25)15-2-1-9-21-12-15;;/h1-4,7-9,12,14,16H,5-6,10-11,20H2,(H,22,24)(H,23,25);2*1H.
What are the key properties of N-[4-[[(3-aminocyclopentanecarbonyl)amino]methyl]phenyl]pyridine-3-carboxamide;dihydrochloride?
N-[4-[[(3-aminocyclopentanecarbonyl)amino]methyl]phenyl]pyridine-3-carboxamide;dihydrochloride has a molecular weight of 411.33 g/mol, XLogP of 2.92, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(3-aminocyclopentanecarbonyl)amino]methyl]phenyl]pyridine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 119870450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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