(3S)-1-[1-(4-aminopyrimidin-2-yl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide

C21H29N7O — CID 95552295

IUPAC(3S)-1-[1-(4-aminopyrimidin-2-yl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
SMILESNc1ccnc(N2CCC(N3CCC[C@H](C(=O)NCc4cccnc4)C3)CC2)n1
InChIInChI=1S/C21H29N7O/c22-19-5-9-24-21(26-19)27-11-6-18(7-12-27)28-10-2-4-17(15-28)20(29)25-14-16-3-1-8-23-13-16/h1,3,5,8-9,13,17-18H,2,4,6-7,10-12,14-15H2,(H,25,29)(H2,22,24,26)/t17-/m0/s1
InChIKeyREEJVGOLGDLNAB-KRWDZBQOSA-N
MW395.51 g/mol
LogP1.45
Rot. Bonds5

About (3S)-1-[1-(4-aminopyrimidin-2-yl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide

(3S)-1-[1-(4-aminopyrimidin-2-yl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide (PubChem CID 95552295) has the molecular formula C21H29N7O and a molecular weight of 395.51 g/mol. Its IUPAC name is (3S)-1-[1-(4-aminopyrimidin-2-yl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[1-(4-aminopyrimidin-2-yl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
PubChem CID95552295
Molecular FormulaC21H29N7O
Molecular Weight395.51 g/mol
Exact Mass395.24
IUPAC Name(3S)-1-[1-(4-aminopyrimidin-2-yl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
SMILESNc1ccnc(N2CCC(N3CCC[C@H](C(=O)NCc4cccnc4)C3)CC2)n1
InChIInChI=1S/C21H29N7O/c22-19-5-9-24-21(26-19)27-11-6-18(7-12-27)28-10-2-4-17(15-28)20(29)25-14-16-3-1-8-23-13-16/h1,3,5,8-9,13,17-18H,2,4,6-7,10-12,14-15H2,(H,25,29)(H2,22,24,26)/t17-/m0/s1
InChIKeyREEJVGOLGDLNAB-KRWDZBQOSA-N
XLogP1.45
TPSA100.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (3S)-1-[1-(4-aminopyrimidin-2-yl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(pyridin-3-ylmethyl)-1-(1-pyrimidin-2-ylpiperidin-4-yl)piperidine-3-carboxamide
CID 56868752
(3S)-1-[1-(4-amino-5-methylpyrimidin-2-yl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 95397635
(3S)-1-[1-[4-(ethylamino)pyrimidin-2-yl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 95463438
1-[1-(4-aminopyrimidin-2-yl)piperidin-4-yl]-N-(2-phenylethyl)piperidine-3-carboxamide
CID 70770161
1-[1-(3-chloro-2-pyridinyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 70755941
(3S)-1-[1-(2,5-dimethylpyrimidin-4-yl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 95402526
1-[1-(4-aminopyrimidin-2-yl)piperidin-4-yl]-N-cyclopropylpiperidine-3-carboxamide
CID 56877941
1-[1-(pyridine-3-carbonyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 70721657
(3R)-1-[1-[2-(carbamoylamino)acetyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 96574126
(3R)-1-[1-(3-fluoropropyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 95539325
(3R)-1-[1-(3-hydroxypropanoyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 95215208
1-(4-methylpyrimidin-2-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 3590836

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[1-(4-aminopyrimidin-2-yl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide?
The IUPAC name of (3S)-1-[1-(4-aminopyrimidin-2-yl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide (CID 95552295) is (3S)-1-[1-(4-aminopyrimidin-2-yl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[1-(4-aminopyrimidin-2-yl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-[1-(4-aminopyrimidin-2-yl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide is Nc1ccnc(N2CCC(N3CCC[C@H](C(=O)NCc4cccnc4)C3)CC2)n1.
What is the InChIKey of (3S)-1-[1-(4-aminopyrimidin-2-yl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide?
The InChIKey is REEJVGOLGDLNAB-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H29N7O/c22-19-5-9-24-21(26-19)27-11-6-18(7-12-27)28-10-2-4-17(15-28)20(29)25-14-16-3-1-8-23-13-16/h1,3,5,8-9,13,17-18H,2,4,6-7,10-12,14-15H2,(H,25,29)(H2,22,24,26)/t17-/m0/s1.
What are the key properties of (3S)-1-[1-(4-aminopyrimidin-2-yl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide?
(3S)-1-[1-(4-aminopyrimidin-2-yl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide has a molecular weight of 395.51 g/mol, XLogP of 1.45, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[1-(4-aminopyrimidin-2-yl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 95552295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).