(2R)-N-[[3-(pyridin-4-ylmethylcarbamoylamino)phenyl]methyl]piperidine-2-carboxamide;dihydrochloride

C20H27Cl2N5O2 — CID 119874536

IUPAC(2R)-N-[[3-(pyridin-4-ylmethylcarbamoylamino)phenyl]methyl]piperidine-2-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NCc1ccncc1)Nc1cccc(CNC(=O)[C@H]2CCCCN2)c1
InChIInChI=1S/C20H25N5O2.2ClH/c26-19(18-6-1-2-9-22-18)23-14-16-4-3-5-17(12-16)25-20(27)24-13-15-7-10-21-11-8-15;;/h3-5,7-8,10-12,18,22H,1-2,6,9,13-14H2,(H,23,26)(H2,24,25,27);2*1H/t18-;;/m1../s1
InChIKeyWGQQALOKPPNDAV-JPKZNVRTSA-N
MW440.38 g/mol
LogP3.01
Rot. Bonds6

About (2R)-N-[[3-(pyridin-4-ylmethylcarbamoylamino)phenyl]methyl]piperidine-2-carboxamide;dihydrochloride

(2R)-N-[[3-(pyridin-4-ylmethylcarbamoylamino)phenyl]methyl]piperidine-2-carboxamide;dihydrochloride (PubChem CID 119874536) has the molecular formula C20H27Cl2N5O2 and a molecular weight of 440.38 g/mol. Its IUPAC name is (2R)-N-[[3-(pyridin-4-ylmethylcarbamoylamino)phenyl]methyl]piperidine-2-carboxamide;dihydrochloride.

Molecular Properties

Compound Name(2R)-N-[[3-(pyridin-4-ylmethylcarbamoylamino)phenyl]methyl]piperidine-2-carboxamide;dihydrochloride
PubChem CID119874536
Molecular FormulaC20H27Cl2N5O2
Molecular Weight440.38 g/mol
Exact Mass439.15
IUPAC Name(2R)-N-[[3-(pyridin-4-ylmethylcarbamoylamino)phenyl]methyl]piperidine-2-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NCc1ccncc1)Nc1cccc(CNC(=O)[C@H]2CCCCN2)c1
InChIInChI=1S/C20H25N5O2.2ClH/c26-19(18-6-1-2-9-22-18)23-14-16-4-3-5-17(12-16)25-20(27)24-13-15-7-10-21-11-8-15;;/h3-5,7-8,10-12,18,22H,1-2,6,9,13-14H2,(H,23,26)(H2,24,25,27);2*1H/t18-;;/m1../s1
InChIKeyWGQQALOKPPNDAV-JPKZNVRTSA-N
XLogP3.01
TPSA95.15 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.38
LogP ≤ 53.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 119299320
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CID 43094683
N-benzylpiperidine-2-carboxamide;hydrochloride
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N-[(3-carbamoylphenyl)methyl]piperidine-2-carboxamide;hydrochloride
CID 119287429
(2S)-N-[(3-carbamoylphenyl)methyl]piperidine-2-carboxamide;hydrochloride
CID 119719925
2-methyl-N-[[3-(pyridin-4-ylmethylcarbamoylamino)phenyl]methyl]cyclopropane-1-carboxamide
CID 56823788
3-[(piperidine-2-carbonylamino)methyl]benzoic acid
CID 61161692
(2S)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-2-carboxamide;hydrochloride
CID 119679731
N-[2-(3-ethylanilino)-2-oxoethyl]piperidine-2-carboxamide;hydrochloride
CID 119312039
2-[3-(piperidine-2-carbonylamino)phenyl]acetic acid
CID 65350284
N-[3-(hydroxymethyl)phenyl]azepane-2-carboxamide
CID 64561657
N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]piperidine-2-carboxamide
CID 119849198

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[[3-(pyridin-4-ylmethylcarbamoylamino)phenyl]methyl]piperidine-2-carboxamide;dihydrochloride?
The IUPAC name of (2R)-N-[[3-(pyridin-4-ylmethylcarbamoylamino)phenyl]methyl]piperidine-2-carboxamide;dihydrochloride (CID 119874536) is (2R)-N-[[3-(pyridin-4-ylmethylcarbamoylamino)phenyl]methyl]piperidine-2-carboxamide;dihydrochloride.
What is the SMILES notation for (2R)-N-[[3-(pyridin-4-ylmethylcarbamoylamino)phenyl]methyl]piperidine-2-carboxamide;dihydrochloride?
The canonical SMILES for (2R)-N-[[3-(pyridin-4-ylmethylcarbamoylamino)phenyl]methyl]piperidine-2-carboxamide;dihydrochloride is Cl.Cl.O=C(NCc1ccncc1)Nc1cccc(CNC(=O)[C@H]2CCCCN2)c1.
What is the InChIKey of (2R)-N-[[3-(pyridin-4-ylmethylcarbamoylamino)phenyl]methyl]piperidine-2-carboxamide;dihydrochloride?
The InChIKey is WGQQALOKPPNDAV-JPKZNVRTSA-N. The full InChI is InChI=1S/C20H25N5O2.2ClH/c26-19(18-6-1-2-9-22-18)23-14-16-4-3-5-17(12-16)25-20(27)24-13-15-7-10-21-11-8-15;;/h3-5,7-8,10-12,18,22H,1-2,6,9,13-14H2,(H,23,26)(H2,24,25,27);2*1H/t18-;;/m1../s1.
What are the key properties of (2R)-N-[[3-(pyridin-4-ylmethylcarbamoylamino)phenyl]methyl]piperidine-2-carboxamide;dihydrochloride?
(2R)-N-[[3-(pyridin-4-ylmethylcarbamoylamino)phenyl]methyl]piperidine-2-carboxamide;dihydrochloride has a molecular weight of 440.38 g/mol, XLogP of 3.01, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[[3-(pyridin-4-ylmethylcarbamoylamino)phenyl]methyl]piperidine-2-carboxamide;dihydrochloride is sourced from PubChem (CID 119874536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).