(3R)-1-[2-[[4-(6-aminopyrimidin-4-yl)benzoyl]amino]ethyl]piperidine-3-carboxamide

C19H24N6O2 — CID 126436789

IUPAC(3R)-1-[2-[[4-(6-aminopyrimidin-4-yl)benzoyl]amino]ethyl]piperidine-3-carboxamide
SMILESNC(=O)[C@@H]1CCCN(CCNC(=O)c2ccc(-c3cc(N)ncn3)cc2)C1
InChIInChI=1S/C19H24N6O2/c20-17-10-16(23-12-24-17)13-3-5-14(6-4-13)19(27)22-7-9-25-8-1-2-15(11-25)18(21)26/h3-6,10,12,15H,1-2,7-9,11H2,(H2,21,26)(H,22,27)(H2,20,23,24)/t15-/m1/s1
InChIKeySUCBKGHSNFOQGF-OAHLLOKOSA-N
MW368.44 g/mol
LogP0.65
Rot. Bonds6

About (3R)-1-[2-[[4-(6-aminopyrimidin-4-yl)benzoyl]amino]ethyl]piperidine-3-carboxamide

(3R)-1-[2-[[4-(6-aminopyrimidin-4-yl)benzoyl]amino]ethyl]piperidine-3-carboxamide (PubChem CID 126436789) has the molecular formula C19H24N6O2 and a molecular weight of 368.44 g/mol. Its IUPAC name is (3R)-1-[2-[[4-(6-aminopyrimidin-4-yl)benzoyl]amino]ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[2-[[4-(6-aminopyrimidin-4-yl)benzoyl]amino]ethyl]piperidine-3-carboxamide
PubChem CID126436789
Molecular FormulaC19H24N6O2
Molecular Weight368.44 g/mol
Exact Mass368.20
IUPAC Name(3R)-1-[2-[[4-(6-aminopyrimidin-4-yl)benzoyl]amino]ethyl]piperidine-3-carboxamide
SMILESNC(=O)[C@@H]1CCCN(CCNC(=O)c2ccc(-c3cc(N)ncn3)cc2)C1
InChIInChI=1S/C19H24N6O2/c20-17-10-16(23-12-24-17)13-3-5-14(6-4-13)19(27)22-7-9-25-8-1-2-15(11-25)18(21)26/h3-6,10,12,15H,1-2,7-9,11H2,(H2,21,26)(H,22,27)(H2,20,23,24)/t15-/m1/s1
InChIKeySUCBKGHSNFOQGF-OAHLLOKOSA-N
XLogP0.65
TPSA127.23 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (3R)-1-[2-[[4-(6-aminopyrimidin-4-yl)benzoyl]amino]ethyl]piperidine-3-carboxamide with MolForge

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Related Compounds

(3R)-1-[2-[[4-(2-methyltetrazol-5-yl)benzoyl]amino]ethyl]piperidine-3-carboxamide
CID 99944023
3-(6-aminopyrimidin-4-yl)-N-(2-piperidin-1-ylethyl)benzamide
CID 118760625
1-[2-[[4-(methoxymethyl)benzoyl]amino]ethyl]piperidine-3-carboxamide
CID 74246457
1-[2-(3,4-dihydro-2H-chromene-6-carbonylamino)ethyl]piperidine-3-carboxamide
CID 118761127
N-[2-(3-carbamoylpiperidin-1-yl)ethyl]-2-methyl-3H-benzimidazole-5-carboxamide
CID 74240532
1-[2-[[3-(6-cyano-2-pyridinyl)benzoyl]amino]ethyl]piperidine-3-carboxamide
CID 121496561
4-(6-aminopyrimidin-4-yl)-N-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]benzamide
CID 126448073
N-[2-(3-carbamoylpiperidin-1-yl)ethyl]-6,7,8,9-tetrahydro-5H-carbazole-2-carboxamide
CID 77096074
4-(6-aminopyrimidin-4-yl)-N-[[(3S)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]benzamide
CID 126432710
6-[4-[3-(3-hydroxypiperidin-1-yl)propylcarbamoyl]phenyl]pyridine-3-carboxamide
CID 119064664
1-[3-[[3-(4-fluorophenyl)benzoyl]amino]propyl]piperidine-3-carboxamide
CID 118780803
(3R)-1-[3-[[3-(4-fluorophenyl)benzoyl]amino]propyl]piperidine-3-carboxamide
CID 125172984

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[2-[[4-(6-aminopyrimidin-4-yl)benzoyl]amino]ethyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-1-[2-[[4-(6-aminopyrimidin-4-yl)benzoyl]amino]ethyl]piperidine-3-carboxamide (CID 126436789) is (3R)-1-[2-[[4-(6-aminopyrimidin-4-yl)benzoyl]amino]ethyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[2-[[4-(6-aminopyrimidin-4-yl)benzoyl]amino]ethyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-[2-[[4-(6-aminopyrimidin-4-yl)benzoyl]amino]ethyl]piperidine-3-carboxamide is NC(=O)[C@@H]1CCCN(CCNC(=O)c2ccc(-c3cc(N)ncn3)cc2)C1.
What is the InChIKey of (3R)-1-[2-[[4-(6-aminopyrimidin-4-yl)benzoyl]amino]ethyl]piperidine-3-carboxamide?
The InChIKey is SUCBKGHSNFOQGF-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H24N6O2/c20-17-10-16(23-12-24-17)13-3-5-14(6-4-13)19(27)22-7-9-25-8-1-2-15(11-25)18(21)26/h3-6,10,12,15H,1-2,7-9,11H2,(H2,21,26)(H,22,27)(H2,20,23,24)/t15-/m1/s1.
What are the key properties of (3R)-1-[2-[[4-(6-aminopyrimidin-4-yl)benzoyl]amino]ethyl]piperidine-3-carboxamide?
(3R)-1-[2-[[4-(6-aminopyrimidin-4-yl)benzoyl]amino]ethyl]piperidine-3-carboxamide has a molecular weight of 368.44 g/mol, XLogP of 0.65, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[2-[[4-(6-aminopyrimidin-4-yl)benzoyl]amino]ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 126436789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).