N-[(3R,4R)-1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoyl]-3-hydroxypiperidin-4-yl]pyridine-3-carboxamide

C19H25N5O3 — CID 70752771

IUPACN-[(3R,4R)-1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoyl]-3-hydroxypiperidin-4-yl]pyridine-3-carboxamide
SMILESCc1n[nH]c(C)c1CCC(=O)N1CC[C@@H](NC(=O)c2cccnc2)[C@H](O)C1
InChIInChI=1S/C19H25N5O3/c1-12-15(13(2)23-22-12)5-6-18(26)24-9-7-16(17(25)11-24)21-19(27)14-4-3-8-20-10-14/h3-4,8,10,16-17,25H,5-7,9,11H2,1-2H3,(H,21,27)(H,22,23)/t16-,17-/m1/s1
InChIKeyRSEZVRVFVNFKDH-IAGOWNOFSA-N
MW371.44 g/mol
LogP0.75
Rot. Bonds5

About N-[(3R,4R)-1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoyl]-3-hydroxypiperidin-4-yl]pyridine-3-carboxamide

N-[(3R,4R)-1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoyl]-3-hydroxypiperidin-4-yl]pyridine-3-carboxamide (PubChem CID 70752771) has the molecular formula C19H25N5O3 and a molecular weight of 371.44 g/mol. Its IUPAC name is N-[(3R,4R)-1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoyl]-3-hydroxypiperidin-4-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(3R,4R)-1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoyl]-3-hydroxypiperidin-4-yl]pyridine-3-carboxamide
PubChem CID70752771
Molecular FormulaC19H25N5O3
Molecular Weight371.44 g/mol
Exact Mass371.20
IUPAC NameN-[(3R,4R)-1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoyl]-3-hydroxypiperidin-4-yl]pyridine-3-carboxamide
SMILESCc1n[nH]c(C)c1CCC(=O)N1CC[C@@H](NC(=O)c2cccnc2)[C@H](O)C1
InChIInChI=1S/C19H25N5O3/c1-12-15(13(2)23-22-12)5-6-18(26)24-9-7-16(17(25)11-24)21-19(27)14-4-3-8-20-10-14/h3-4,8,10,16-17,25H,5-7,9,11H2,1-2H3,(H,21,27)(H,22,23)/t16-,17-/m1/s1
InChIKeyRSEZVRVFVNFKDH-IAGOWNOFSA-N
XLogP0.75
TPSA111.21 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoyl]-3-hydroxypiperidin-4-yl]pyridine-3-carboxamide?
The IUPAC name of N-[(3R,4R)-1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoyl]-3-hydroxypiperidin-4-yl]pyridine-3-carboxamide (CID 70752771) is N-[(3R,4R)-1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoyl]-3-hydroxypiperidin-4-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[(3R,4R)-1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoyl]-3-hydroxypiperidin-4-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[(3R,4R)-1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoyl]-3-hydroxypiperidin-4-yl]pyridine-3-carboxamide is Cc1n[nH]c(C)c1CCC(=O)N1CC[C@@H](NC(=O)c2cccnc2)[C@H](O)C1.
What is the InChIKey of N-[(3R,4R)-1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoyl]-3-hydroxypiperidin-4-yl]pyridine-3-carboxamide?
The InChIKey is RSEZVRVFVNFKDH-IAGOWNOFSA-N. The full InChI is InChI=1S/C19H25N5O3/c1-12-15(13(2)23-22-12)5-6-18(26)24-9-7-16(17(25)11-24)21-19(27)14-4-3-8-20-10-14/h3-4,8,10,16-17,25H,5-7,9,11H2,1-2H3,(H,21,27)(H,22,23)/t16-,17-/m1/s1.
What are the key properties of N-[(3R,4R)-1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoyl]-3-hydroxypiperidin-4-yl]pyridine-3-carboxamide?
N-[(3R,4R)-1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoyl]-3-hydroxypiperidin-4-yl]pyridine-3-carboxamide has a molecular weight of 371.44 g/mol, XLogP of 0.75, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoyl]-3-hydroxypiperidin-4-yl]pyridine-3-carboxamide is sourced from PubChem (CID 70752771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).