N-[(1R,2S,3R,4R)-3-hydroxy-2-piperidin-1-yl-4-pyridin-3-yloxycyclohexyl]-2-methylpyrazole-3-carboxamide

C21H29N5O3 — CID 155901349

IUPACN-[(1R,2S,3R,4R)-3-hydroxy-2-piperidin-1-yl-4-pyridin-3-yloxycyclohexyl]-2-methylpyrazole-3-carboxamide
SMILESCn1nccc1C(=O)N[C@@H]1CC[C@@H](Oc2cccnc2)[C@H](O)[C@H]1N1CCCCC1
InChIInChI=1S/C21H29N5O3/c1-25-17(9-11-23-25)21(28)24-16-7-8-18(29-15-6-5-10-22-14-15)20(27)19(16)26-12-3-2-4-13-26/h5-6,9-11,14,16,18-20,27H,2-4,7-8,12-13H2,1H3,(H,24,28)/t16-,18-,19+,20+/m1/s1
InChIKeyMYNUICRQQQWLCD-LMCOJAPRSA-N
MW399.50 g/mol
LogP1.37
Rot. Bonds5

About N-[(1R,2S,3R,4R)-3-hydroxy-2-piperidin-1-yl-4-pyridin-3-yloxycyclohexyl]-2-methylpyrazole-3-carboxamide

N-[(1R,2S,3R,4R)-3-hydroxy-2-piperidin-1-yl-4-pyridin-3-yloxycyclohexyl]-2-methylpyrazole-3-carboxamide (PubChem CID 155901349) has the molecular formula C21H29N5O3 and a molecular weight of 399.50 g/mol. Its IUPAC name is N-[(1R,2S,3R,4R)-3-hydroxy-2-piperidin-1-yl-4-pyridin-3-yloxycyclohexyl]-2-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1R,2S,3R,4R)-3-hydroxy-2-piperidin-1-yl-4-pyridin-3-yloxycyclohexyl]-2-methylpyrazole-3-carboxamide
PubChem CID155901349
Molecular FormulaC21H29N5O3
Molecular Weight399.50 g/mol
Exact Mass399.23
IUPAC NameN-[(1R,2S,3R,4R)-3-hydroxy-2-piperidin-1-yl-4-pyridin-3-yloxycyclohexyl]-2-methylpyrazole-3-carboxamide
SMILESCn1nccc1C(=O)N[C@@H]1CC[C@@H](Oc2cccnc2)[C@H](O)[C@H]1N1CCCCC1
InChIInChI=1S/C21H29N5O3/c1-25-17(9-11-23-25)21(28)24-16-7-8-18(29-15-6-5-10-22-14-15)20(27)19(16)26-12-3-2-4-13-26/h5-6,9-11,14,16,18-20,27H,2-4,7-8,12-13H2,1H3,(H,24,28)/t16-,18-,19+,20+/m1/s1
InChIKeyMYNUICRQQQWLCD-LMCOJAPRSA-N
XLogP1.37
TPSA92.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.50
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(1R,2S,3R,4R)-3-hydroxy-4-(3-methoxyphenoxy)-2-piperidin-1-ylcyclopentyl]pyridine-3-carboxamide
CID 110157415
N-[(1R,2S,3R,4R)-3-hydroxy-2-morpholin-4-yl-4-pyridin-3-yloxycyclopentyl]pyridine-3-carboxamide
CID 110157411
N-[(1R,2S,3R,4R)-4-(3-fluorophenoxy)-3-hydroxy-2-pyrrolidin-1-ylcyclopentyl]-3-methylimidazole-4-carboxamide
CID 155901233
N-[(1R,2R,3R)-2-hydroxy-3-pyridin-3-yloxycyclopentyl]-4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 110125354
N-[(1R,2R,3R)-2-hydroxy-3-pyridin-3-yloxycyclohexyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 110125760
N-[(1R,2S,3R,4R)-3-hydroxy-4-phenoxy-2-piperidin-1-ylcyclopentyl]-3-methoxybenzamide
CID 110153321
N-[(1R,2S,3R,4R)-3-hydroxy-4-phenoxy-2-piperidin-1-ylcyclopentyl]oxane-4-carboxamide
CID 110157858
N-[(1R,2R,3R)-2-hydroxy-3-pyridin-3-yloxycyclohexyl]-2-methyl-2-(1,2,4-triazol-1-yl)propanamide
CID 110158791
N-[(1R,2R,3R)-2-hydroxy-3-pyridin-3-yloxycyclohexyl]-N-methyl-2-propan-2-ylpyrazole-3-carboxamide
CID 110158799
2-methyl-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]pyrazole-3-carboxamide
CID 91777487
N-[(1R,2R,3S,4R)-2,3-dihydroxy-4-phenoxycyclohexyl]benzamide
CID 155902479
N-[(1R,2S,3R,4R)-2-(dimethylamino)-3-hydroxy-4-pyridin-3-yloxycyclopentyl]benzamide
CID 110157359

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S,3R,4R)-3-hydroxy-2-piperidin-1-yl-4-pyridin-3-yloxycyclohexyl]-2-methylpyrazole-3-carboxamide?
The IUPAC name of N-[(1R,2S,3R,4R)-3-hydroxy-2-piperidin-1-yl-4-pyridin-3-yloxycyclohexyl]-2-methylpyrazole-3-carboxamide (CID 155901349) is N-[(1R,2S,3R,4R)-3-hydroxy-2-piperidin-1-yl-4-pyridin-3-yloxycyclohexyl]-2-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[(1R,2S,3R,4R)-3-hydroxy-2-piperidin-1-yl-4-pyridin-3-yloxycyclohexyl]-2-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[(1R,2S,3R,4R)-3-hydroxy-2-piperidin-1-yl-4-pyridin-3-yloxycyclohexyl]-2-methylpyrazole-3-carboxamide is Cn1nccc1C(=O)N[C@@H]1CC[C@@H](Oc2cccnc2)[C@H](O)[C@H]1N1CCCCC1.
What is the InChIKey of N-[(1R,2S,3R,4R)-3-hydroxy-2-piperidin-1-yl-4-pyridin-3-yloxycyclohexyl]-2-methylpyrazole-3-carboxamide?
The InChIKey is MYNUICRQQQWLCD-LMCOJAPRSA-N. The full InChI is InChI=1S/C21H29N5O3/c1-25-17(9-11-23-25)21(28)24-16-7-8-18(29-15-6-5-10-22-14-15)20(27)19(16)26-12-3-2-4-13-26/h5-6,9-11,14,16,18-20,27H,2-4,7-8,12-13H2,1H3,(H,24,28)/t16-,18-,19+,20+/m1/s1.
What are the key properties of N-[(1R,2S,3R,4R)-3-hydroxy-2-piperidin-1-yl-4-pyridin-3-yloxycyclohexyl]-2-methylpyrazole-3-carboxamide?
N-[(1R,2S,3R,4R)-3-hydroxy-2-piperidin-1-yl-4-pyridin-3-yloxycyclohexyl]-2-methylpyrazole-3-carboxamide has a molecular weight of 399.50 g/mol, XLogP of 1.37, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S,3R,4R)-3-hydroxy-2-piperidin-1-yl-4-pyridin-3-yloxycyclohexyl]-2-methylpyrazole-3-carboxamide is sourced from PubChem (CID 155901349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).