N-(3-chloro-2-pyridinyl)-N-[(3R)-piperidin-3-yl]-4-(pyrimidin-2-ylamino)benzamide

C21H21ClN6O — CID 172532418

IUPACN-(3-chloro-2-pyridinyl)-N-[(3R)-piperidin-3-yl]-4-(pyrimidin-2-ylamino)benzamide
SMILESO=C(c1ccc(Nc2ncccn2)cc1)N(c1ncccc1Cl)[C@@H]1CCCNC1
InChIInChI=1S/C21H21ClN6O/c22-18-5-2-11-24-19(18)28(17-4-1-10-23-14-17)20(29)15-6-8-16(9-7-15)27-21-25-12-3-13-26-21/h2-3,5-9,11-13,17,23H,1,4,10,14H2,(H,25,26,27)/t17-/m1/s1
InChIKeyQTLUSOBSGMPWCV-QGZVFWFLSA-N
MW408.89 g/mol
LogP3.67
Rot. Bonds5

About N-(3-chloro-2-pyridinyl)-N-[(3R)-piperidin-3-yl]-4-(pyrimidin-2-ylamino)benzamide

N-(3-chloro-2-pyridinyl)-N-[(3R)-piperidin-3-yl]-4-(pyrimidin-2-ylamino)benzamide (PubChem CID 172532418) has the molecular formula C21H21ClN6O and a molecular weight of 408.89 g/mol. Its IUPAC name is N-(3-chloro-2-pyridinyl)-N-[(3R)-piperidin-3-yl]-4-(pyrimidin-2-ylamino)benzamide.

Molecular Properties

Compound NameN-(3-chloro-2-pyridinyl)-N-[(3R)-piperidin-3-yl]-4-(pyrimidin-2-ylamino)benzamide
PubChem CID172532418
Molecular FormulaC21H21ClN6O
Molecular Weight408.89 g/mol
Exact Mass408.15
IUPAC NameN-(3-chloro-2-pyridinyl)-N-[(3R)-piperidin-3-yl]-4-(pyrimidin-2-ylamino)benzamide
SMILESO=C(c1ccc(Nc2ncccn2)cc1)N(c1ncccc1Cl)[C@@H]1CCCNC1
InChIInChI=1S/C21H21ClN6O/c22-18-5-2-11-24-19(18)28(17-4-1-10-23-14-17)20(29)15-6-8-16(9-7-15)27-21-25-12-3-13-26-21/h2-3,5-9,11-13,17,23H,1,4,10,14H2,(H,25,26,27)/t17-/m1/s1
InChIKeyQTLUSOBSGMPWCV-QGZVFWFLSA-N
XLogP3.67
TPSA83.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.89
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(3-chloro-2-pyridinyl)-N-[(3R)-piperidin-3-yl]-4-(pyrimidin-2-ylamino)benzamide 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-(8-chloroisoquinolin-1-yl)-2-fluoro-N-[(3R)-piperidin-3-yl]-4-(pyrimidin-2-ylamino)benzamide
CID 172532846
N-(3-methyl-2-pyridinyl)-4-(oxetan-3-ylamino)-N-[(3R)-piperidin-3-yl]benzamide
CID 172532265
N-(3-chloro-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methyl-N-piperidin-3-ylbenzamide
CID 140934009
4-(1-methylpyrazol-4-yl)-N-(3-methyl-2-pyridinyl)-N-piperidin-3-ylbenzamide
CID 172533416
4-[[4-[(4,4-difluoropiperidin-1-yl)methyl]pyrimidin-2-yl]amino]-N-(8-methylisoquinolin-1-yl)-N-[(3R)-piperidin-3-yl]benzamide
CID 172533339
N-(3-chloro-2-pyridinyl)-N-(oxan-3-yl)benzamide
CID 175840998
2-fluoro-N-[(3R)-piperidin-3-yl]-N-(2-pyridin-4-ylthieno[3,2-c]pyridin-4-yl)-4-(pyrimidin-2-ylamino)benzamide
CID 172532840
4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3-methyl-2-pyridinyl)-N-piperidin-3-ylbenzamide
CID 140933909
N-(8-chloroisoquinolin-1-yl)-2-fluoro-4-iodo-N-[(3R)-piperidin-3-yl]benzamide
CID 172532980
2-fluoro-N-(8-methylisoquinolin-1-yl)-N-[(3R)-piperidin-3-yl]-4-[(4-piperidin-1-ylpyrimidin-2-yl)amino]benzamide
CID 172533332
2-fluoro-N-(8-methylisoquinolin-1-yl)-N-[(3R)-piperidin-3-yl]-4-[(4-pyridin-4-ylpyrimidin-2-yl)amino]benzamide
CID 172533693
2-chloro-N-[2-oxo-2-[piperidin-3-yl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]ethyl]benzamide
CID 67066755

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-pyridinyl)-N-[(3R)-piperidin-3-yl]-4-(pyrimidin-2-ylamino)benzamide?
The IUPAC name of N-(3-chloro-2-pyridinyl)-N-[(3R)-piperidin-3-yl]-4-(pyrimidin-2-ylamino)benzamide (CID 172532418) is N-(3-chloro-2-pyridinyl)-N-[(3R)-piperidin-3-yl]-4-(pyrimidin-2-ylamino)benzamide.
What is the SMILES notation for N-(3-chloro-2-pyridinyl)-N-[(3R)-piperidin-3-yl]-4-(pyrimidin-2-ylamino)benzamide?
The canonical SMILES for N-(3-chloro-2-pyridinyl)-N-[(3R)-piperidin-3-yl]-4-(pyrimidin-2-ylamino)benzamide is O=C(c1ccc(Nc2ncccn2)cc1)N(c1ncccc1Cl)[C@@H]1CCCNC1.
What is the InChIKey of N-(3-chloro-2-pyridinyl)-N-[(3R)-piperidin-3-yl]-4-(pyrimidin-2-ylamino)benzamide?
The InChIKey is QTLUSOBSGMPWCV-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H21ClN6O/c22-18-5-2-11-24-19(18)28(17-4-1-10-23-14-17)20(29)15-6-8-16(9-7-15)27-21-25-12-3-13-26-21/h2-3,5-9,11-13,17,23H,1,4,10,14H2,(H,25,26,27)/t17-/m1/s1.
What are the key properties of N-(3-chloro-2-pyridinyl)-N-[(3R)-piperidin-3-yl]-4-(pyrimidin-2-ylamino)benzamide?
N-(3-chloro-2-pyridinyl)-N-[(3R)-piperidin-3-yl]-4-(pyrimidin-2-ylamino)benzamide has a molecular weight of 408.89 g/mol, XLogP of 3.67, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-pyridinyl)-N-[(3R)-piperidin-3-yl]-4-(pyrimidin-2-ylamino)benzamide is sourced from PubChem (CID 172532418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).