N-[4-[[[(2R)-piperidine-2-carbonyl]amino]methyl]phenyl]pyridine-3-carboxamide;dihydrochloride

C19H24Cl2N4O2 — CID 119870444

IUPACN-[4-[[[(2R)-piperidine-2-carbonyl]amino]methyl]phenyl]pyridine-3-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(Nc1ccc(CNC(=O)[C@H]2CCCCN2)cc1)c1cccnc1
InChIInChI=1S/C19H22N4O2.2ClH/c24-18(15-4-3-10-20-13-15)23-16-8-6-14(7-9-16)12-22-19(25)17-5-1-2-11-21-17;;/h3-4,6-10,13,17,21H,1-2,5,11-12H2,(H,22,25)(H,23,24);2*1H/t17-;;/m1../s1
InChIKeyXRCSIXHFQRMHDV-ZEECNFPPSA-N
MW411.33 g/mol
LogP2.94
Rot. Bonds5

About N-[4-[[[(2R)-piperidine-2-carbonyl]amino]methyl]phenyl]pyridine-3-carboxamide;dihydrochloride

N-[4-[[[(2R)-piperidine-2-carbonyl]amino]methyl]phenyl]pyridine-3-carboxamide;dihydrochloride (PubChem CID 119870444) has the molecular formula C19H24Cl2N4O2 and a molecular weight of 411.33 g/mol. Its IUPAC name is N-[4-[[[(2R)-piperidine-2-carbonyl]amino]methyl]phenyl]pyridine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[4-[[[(2R)-piperidine-2-carbonyl]amino]methyl]phenyl]pyridine-3-carboxamide;dihydrochloride
PubChem CID119870444
Molecular FormulaC19H24Cl2N4O2
Molecular Weight411.33 g/mol
Exact Mass410.13
IUPAC NameN-[4-[[[(2R)-piperidine-2-carbonyl]amino]methyl]phenyl]pyridine-3-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(Nc1ccc(CNC(=O)[C@H]2CCCCN2)cc1)c1cccnc1
InChIInChI=1S/C19H22N4O2.2ClH/c24-18(15-4-3-10-20-13-15)23-16-8-6-14(7-9-16)12-22-19(25)17-5-1-2-11-21-17;;/h3-4,6-10,13,17,21H,1-2,5,11-12H2,(H,22,25)(H,23,24);2*1H/t17-;;/m1../s1
InChIKeyXRCSIXHFQRMHDV-ZEECNFPPSA-N
XLogP2.94
TPSA83.12 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 ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[[(3-aminocyclopentanecarbonyl)amino]methyl]phenyl]pyridine-3-carboxamide;dihydrochloride
CID 119870450
(2S)-N-[[4-(2-methylpropanoylamino)phenyl]methyl]piperidine-2-carboxamide;hydrochloride
CID 119701212
N-benzylpiperidine-2-carboxamide;hydrochloride
CID 53410820
N-[4-[[(2-phenylacetyl)amino]methyl]phenyl]pyridine-3-carboxamide
CID 108925504
N-[4-[[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]methyl]phenyl]pyridine-3-carboxamide
CID 119870453
N-[4-[(carbamoylamino)methyl]phenyl]piperidine-2-carboxamide;hydrochloride
CID 119308499
N-[4-[(3-piperidin-4-ylbutanoylamino)methyl]phenyl]pyridine-3-carboxamide;dihydrochloride
CID 119870472
4-[[[(2S)-piperidine-2-carbonyl]amino]methyl]benzoic acid
CID 103869345
N-[[4-[(2-cyclohexylacetyl)amino]phenyl]methyl]pyridine-3-carboxamide
CID 108925756
N-[(4-fluorophenyl)methyl]piperidine-2-carboxamide
CID 11615609
N-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide
CID 43094683
(2R)-N-[[3-(pyridin-4-ylmethylcarbamoylamino)phenyl]methyl]piperidine-2-carboxamide;dihydrochloride
CID 119874536

Frequently Asked Questions

What is the IUPAC name of N-[4-[[[(2R)-piperidine-2-carbonyl]amino]methyl]phenyl]pyridine-3-carboxamide;dihydrochloride?
The IUPAC name of N-[4-[[[(2R)-piperidine-2-carbonyl]amino]methyl]phenyl]pyridine-3-carboxamide;dihydrochloride (CID 119870444) is N-[4-[[[(2R)-piperidine-2-carbonyl]amino]methyl]phenyl]pyridine-3-carboxamide;dihydrochloride.
What is the SMILES notation for N-[4-[[[(2R)-piperidine-2-carbonyl]amino]methyl]phenyl]pyridine-3-carboxamide;dihydrochloride?
The canonical SMILES for N-[4-[[[(2R)-piperidine-2-carbonyl]amino]methyl]phenyl]pyridine-3-carboxamide;dihydrochloride is Cl.Cl.O=C(Nc1ccc(CNC(=O)[C@H]2CCCCN2)cc1)c1cccnc1.
What is the InChIKey of N-[4-[[[(2R)-piperidine-2-carbonyl]amino]methyl]phenyl]pyridine-3-carboxamide;dihydrochloride?
The InChIKey is XRCSIXHFQRMHDV-ZEECNFPPSA-N. The full InChI is InChI=1S/C19H22N4O2.2ClH/c24-18(15-4-3-10-20-13-15)23-16-8-6-14(7-9-16)12-22-19(25)17-5-1-2-11-21-17;;/h3-4,6-10,13,17,21H,1-2,5,11-12H2,(H,22,25)(H,23,24);2*1H/t17-;;/m1../s1.
What are the key properties of N-[4-[[[(2R)-piperidine-2-carbonyl]amino]methyl]phenyl]pyridine-3-carboxamide;dihydrochloride?
N-[4-[[[(2R)-piperidine-2-carbonyl]amino]methyl]phenyl]pyridine-3-carboxamide;dihydrochloride has a molecular weight of 411.33 g/mol, XLogP of 2.94, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[[(2R)-piperidine-2-carbonyl]amino]methyl]phenyl]pyridine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 119870444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).