5-(4-bromo-1-methylpyrazol-5-yl)-6-methyl-N-[(3R,4R)-4-piperidin-3-ylpiperidin-3-yl]pyridine-2-carboxamide

C21H29BrN6O — CID 118408835

IUPAC5-(4-bromo-1-methylpyrazol-5-yl)-6-methyl-N-[(3R,4R)-4-piperidin-3-ylpiperidin-3-yl]pyridine-2-carboxamide
SMILESCc1nc(C(=O)N[C@H]2CNCC[C@@H]2C2CCCNC2)ccc1-c1c(Br)cnn1C
InChIInChI=1S/C21H29BrN6O/c1-13-15(20-17(22)11-25-28(20)2)5-6-18(26-13)21(29)27-19-12-24-9-7-16(19)14-4-3-8-23-10-14/h5-6,11,14,16,19,23-24H,3-4,7-10,12H2,1-2H3,(H,27,29)/t14?,16-,19+/m1/s1
InChIKeyGMDRGNLWKWZPTJ-NBMIWUGMSA-N
MW461.41 g/mol
LogP2.26
Rot. Bonds4

About 5-(4-bromo-1-methylpyrazol-5-yl)-6-methyl-N-[(3R,4R)-4-piperidin-3-ylpiperidin-3-yl]pyridine-2-carboxamide

5-(4-bromo-1-methylpyrazol-5-yl)-6-methyl-N-[(3R,4R)-4-piperidin-3-ylpiperidin-3-yl]pyridine-2-carboxamide (PubChem CID 118408835) has the molecular formula C21H29BrN6O and a molecular weight of 461.41 g/mol. Its IUPAC name is 5-(4-bromo-1-methylpyrazol-5-yl)-6-methyl-N-[(3R,4R)-4-piperidin-3-ylpiperidin-3-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(4-bromo-1-methylpyrazol-5-yl)-6-methyl-N-[(3R,4R)-4-piperidin-3-ylpiperidin-3-yl]pyridine-2-carboxamide
PubChem CID118408835
Molecular FormulaC21H29BrN6O
Molecular Weight461.41 g/mol
Exact Mass460.16
IUPAC Name5-(4-bromo-1-methylpyrazol-5-yl)-6-methyl-N-[(3R,4R)-4-piperidin-3-ylpiperidin-3-yl]pyridine-2-carboxamide
SMILESCc1nc(C(=O)N[C@H]2CNCC[C@@H]2C2CCCNC2)ccc1-c1c(Br)cnn1C
InChIInChI=1S/C21H29BrN6O/c1-13-15(20-17(22)11-25-28(20)2)5-6-18(26-13)21(29)27-19-12-24-9-7-16(19)14-4-3-8-23-10-14/h5-6,11,14,16,19,23-24H,3-4,7-10,12H2,1-2H3,(H,27,29)/t14?,16-,19+/m1/s1
InChIKeyGMDRGNLWKWZPTJ-NBMIWUGMSA-N
XLogP2.26
TPSA83.87 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.41
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4-bromo-1-methylpyrazol-5-yl)-N-[(3R,4R)-4-(3,5-dimethoxyphenyl)piperidin-3-yl]-3-propylbenzamide
CID 129037916
4-(4-bromo-1-methylpyrazol-5-yl)-3-chloro-N-[(3S,4S)-4-(3-fluorophenyl)piperidin-3-yl]benzamide
CID 155567065
4-(4-bromo-1-methylpyrazol-5-yl)-N-[(3S,4S)-4-(3,4-difluorophenyl)piperidin-3-yl]-2,5-difluorobenzamide;hydrochloride
CID 164624412
N-(2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-4-yl)-8-bromo-1,6-naphthyridine-2-carboxamide
CID 167924565
4-(4-bromo-1-methylpyrazol-5-yl)-N-[(3R,4R)-4-(3-cyanophenyl)piperidin-3-yl]-5-methyl-1H-pyrrole-2-carboxamide
CID 137179104
5-chloro-1-methyl-N-piperidin-3-ylpyrazole-4-carboxamide
CID 115044845
1,5-dimethyl-N-pyrrolidin-3-ylpyrazole-3-carboxamide;hydrochloride
CID 119451610
6-methyl-N-pyrrolidin-3-ylpyridine-2-carboxamide;dihydrochloride
CID 119451522
N-[(3R)-piperidin-3-yl]quinoxaline-2-carboxamide
CID 105061101
N-[3-(4-bromo-1-methylpyrazol-5-yl)-4-piperidin-3-yloxyphenyl]-4-chlorobenzamide
CID 66927930
4-(4-chloro-1-methylpyrazol-5-yl)-5-ethyl-N-[(3R)-4-(3-fluorocyclopentyl)piperidin-3-yl]-1-methylpyrrole-2-carboxamide
CID 129047706
1-(4-bromophenyl)-5-methyl-N-piperidin-3-ylpyrazole-4-carboxamide;hydrochloride
CID 119426369

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromo-1-methylpyrazol-5-yl)-6-methyl-N-[(3R,4R)-4-piperidin-3-ylpiperidin-3-yl]pyridine-2-carboxamide?
The IUPAC name of 5-(4-bromo-1-methylpyrazol-5-yl)-6-methyl-N-[(3R,4R)-4-piperidin-3-ylpiperidin-3-yl]pyridine-2-carboxamide (CID 118408835) is 5-(4-bromo-1-methylpyrazol-5-yl)-6-methyl-N-[(3R,4R)-4-piperidin-3-ylpiperidin-3-yl]pyridine-2-carboxamide.
What is the SMILES notation for 5-(4-bromo-1-methylpyrazol-5-yl)-6-methyl-N-[(3R,4R)-4-piperidin-3-ylpiperidin-3-yl]pyridine-2-carboxamide?
The canonical SMILES for 5-(4-bromo-1-methylpyrazol-5-yl)-6-methyl-N-[(3R,4R)-4-piperidin-3-ylpiperidin-3-yl]pyridine-2-carboxamide is Cc1nc(C(=O)N[C@H]2CNCC[C@@H]2C2CCCNC2)ccc1-c1c(Br)cnn1C.
What is the InChIKey of 5-(4-bromo-1-methylpyrazol-5-yl)-6-methyl-N-[(3R,4R)-4-piperidin-3-ylpiperidin-3-yl]pyridine-2-carboxamide?
The InChIKey is GMDRGNLWKWZPTJ-NBMIWUGMSA-N. The full InChI is InChI=1S/C21H29BrN6O/c1-13-15(20-17(22)11-25-28(20)2)5-6-18(26-13)21(29)27-19-12-24-9-7-16(19)14-4-3-8-23-10-14/h5-6,11,14,16,19,23-24H,3-4,7-10,12H2,1-2H3,(H,27,29)/t14?,16-,19+/m1/s1.
What are the key properties of 5-(4-bromo-1-methylpyrazol-5-yl)-6-methyl-N-[(3R,4R)-4-piperidin-3-ylpiperidin-3-yl]pyridine-2-carboxamide?
5-(4-bromo-1-methylpyrazol-5-yl)-6-methyl-N-[(3R,4R)-4-piperidin-3-ylpiperidin-3-yl]pyridine-2-carboxamide has a molecular weight of 461.41 g/mol, XLogP of 2.26, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromo-1-methylpyrazol-5-yl)-6-methyl-N-[(3R,4R)-4-piperidin-3-ylpiperidin-3-yl]pyridine-2-carboxamide is sourced from PubChem (CID 118408835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).