N-(1-azabicyclo[3.2.1]octan-5-yl)-3-[(4-methylpyrimidin-2-yl)amino]benzamide

C19H23N5O — CID 167853458

IUPACN-(1-azabicyclo[3.2.1]octan-5-yl)-3-[(4-methylpyrimidin-2-yl)amino]benzamide
SMILESCc1ccnc(Nc2cccc(C(=O)NC34CCCN(CC3)C4)c2)n1
InChIInChI=1S/C19H23N5O/c1-14-6-9-20-18(21-14)22-16-5-2-4-15(12-16)17(25)23-19-7-3-10-24(13-19)11-8-19/h2,4-6,9,12H,3,7-8,10-11,13H2,1H3,(H,23,25)(H,20,21,22)
InChIKeyBPBWNWWVPAMPGA-UHFFFAOYSA-N
MW337.43 g/mol
LogP2.50
Rot. Bonds4

About N-(1-azabicyclo[3.2.1]octan-5-yl)-3-[(4-methylpyrimidin-2-yl)amino]benzamide

N-(1-azabicyclo[3.2.1]octan-5-yl)-3-[(4-methylpyrimidin-2-yl)amino]benzamide (PubChem CID 167853458) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is N-(1-azabicyclo[3.2.1]octan-5-yl)-3-[(4-methylpyrimidin-2-yl)amino]benzamide.

Molecular Properties

Compound NameN-(1-azabicyclo[3.2.1]octan-5-yl)-3-[(4-methylpyrimidin-2-yl)amino]benzamide
PubChem CID167853458
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC NameN-(1-azabicyclo[3.2.1]octan-5-yl)-3-[(4-methylpyrimidin-2-yl)amino]benzamide
SMILESCc1ccnc(Nc2cccc(C(=O)NC34CCCN(CC3)C4)c2)n1
InChIInChI=1S/C19H23N5O/c1-14-6-9-20-18(21-14)22-16-5-2-4-15(12-16)17(25)23-19-7-3-10-24(13-19)11-8-19/h2,4-6,9,12H,3,7-8,10-11,13H2,1H3,(H,23,25)(H,20,21,22)
InChIKeyBPBWNWWVPAMPGA-UHFFFAOYSA-N
XLogP2.50
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-N-(3-methylphenyl)pyrimidin-2-amine
CID 12817737
N-[3-(1-azabicyclo[3.2.1]octan-5-yloxy)phenyl]-4,6-dimethylpyrimidin-2-amine
CID 56711174
methyl 3-[[4-(azepan-1-yl)pyrimidin-2-yl]amino]benzoate
CID 112901585
(3S)-1-[3-[(4,6-dimethylpyrimidin-2-yl)amino]benzoyl]-N-methyl-3-pyridin-2-ylpiperidine-3-carboxamide
CID 124986297
4-methyl-N-(3-morpholin-4-ylphenyl)pyrimidin-2-amine
CID 171509337
2-(3-acetylanilino)-N-(3-acetylphenyl)pyrimidine-4-carboxamide
CID 109318161
methyl 3-[[4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-yl]amino]benzoate
CID 112898963
methyl 3-[[4-(azepane-1-carbonyl)pyrimidin-2-yl]amino]benzoate
CID 109313344
3-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(2-oxo-1H-pyrimidin-6-yl)benzamide
CID 108804643
N-methoxy-3-(pyrimidin-2-ylamino)benzamide
CID 38013437
3-[(4-aminopyrimidin-2-yl)amino]benzamide
CID 107811877
1-[3-(pyrimidin-2-ylamino)phenyl]ethanone
CID 115028227

Frequently Asked Questions

What is the IUPAC name of N-(1-azabicyclo[3.2.1]octan-5-yl)-3-[(4-methylpyrimidin-2-yl)amino]benzamide?
The IUPAC name of N-(1-azabicyclo[3.2.1]octan-5-yl)-3-[(4-methylpyrimidin-2-yl)amino]benzamide (CID 167853458) is N-(1-azabicyclo[3.2.1]octan-5-yl)-3-[(4-methylpyrimidin-2-yl)amino]benzamide.
What is the SMILES notation for N-(1-azabicyclo[3.2.1]octan-5-yl)-3-[(4-methylpyrimidin-2-yl)amino]benzamide?
The canonical SMILES for N-(1-azabicyclo[3.2.1]octan-5-yl)-3-[(4-methylpyrimidin-2-yl)amino]benzamide is Cc1ccnc(Nc2cccc(C(=O)NC34CCCN(CC3)C4)c2)n1.
What is the InChIKey of N-(1-azabicyclo[3.2.1]octan-5-yl)-3-[(4-methylpyrimidin-2-yl)amino]benzamide?
The InChIKey is BPBWNWWVPAMPGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O/c1-14-6-9-20-18(21-14)22-16-5-2-4-15(12-16)17(25)23-19-7-3-10-24(13-19)11-8-19/h2,4-6,9,12H,3,7-8,10-11,13H2,1H3,(H,23,25)(H,20,21,22).
What are the key properties of N-(1-azabicyclo[3.2.1]octan-5-yl)-3-[(4-methylpyrimidin-2-yl)amino]benzamide?
N-(1-azabicyclo[3.2.1]octan-5-yl)-3-[(4-methylpyrimidin-2-yl)amino]benzamide has a molecular weight of 337.43 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-azabicyclo[3.2.1]octan-5-yl)-3-[(4-methylpyrimidin-2-yl)amino]benzamide is sourced from PubChem (CID 167853458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).