N-[(3S,4R)-4-[(dimethylamino)methyl]-1-pyridin-2-ylpyrrolidin-3-yl]-1-ethyl-5-methylpyrazole-4-carboxamide

C19H28N6O — CID 91911092

IUPACN-[(3S,4R)-4-[(dimethylamino)methyl]-1-pyridin-2-ylpyrrolidin-3-yl]-1-ethyl-5-methylpyrazole-4-carboxamide
SMILESCCn1ncc(C(=O)N[C@@H]2CN(c3ccccn3)C[C@H]2CN(C)C)c1C
InChIInChI=1S/C19H28N6O/c1-5-25-14(2)16(10-21-25)19(26)22-17-13-24(12-15(17)11-23(3)4)18-8-6-7-9-20-18/h6-10,15,17H,5,11-13H2,1-4H3,(H,22,26)/t15-,17-/m1/s1
InChIKeyHOQAHSSTEFSVSH-NVXWUHKLSA-N
MW356.47 g/mol
LogP1.40
Rot. Bonds6

About N-[(3S,4R)-4-[(dimethylamino)methyl]-1-pyridin-2-ylpyrrolidin-3-yl]-1-ethyl-5-methylpyrazole-4-carboxamide

N-[(3S,4R)-4-[(dimethylamino)methyl]-1-pyridin-2-ylpyrrolidin-3-yl]-1-ethyl-5-methylpyrazole-4-carboxamide (PubChem CID 91911092) has the molecular formula C19H28N6O and a molecular weight of 356.47 g/mol. Its IUPAC name is N-[(3S,4R)-4-[(dimethylamino)methyl]-1-pyridin-2-ylpyrrolidin-3-yl]-1-ethyl-5-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3S,4R)-4-[(dimethylamino)methyl]-1-pyridin-2-ylpyrrolidin-3-yl]-1-ethyl-5-methylpyrazole-4-carboxamide
PubChem CID91911092
Molecular FormulaC19H28N6O
Molecular Weight356.47 g/mol
Exact Mass356.23
IUPAC NameN-[(3S,4R)-4-[(dimethylamino)methyl]-1-pyridin-2-ylpyrrolidin-3-yl]-1-ethyl-5-methylpyrazole-4-carboxamide
SMILESCCn1ncc(C(=O)N[C@@H]2CN(c3ccccn3)C[C@H]2CN(C)C)c1C
InChIInChI=1S/C19H28N6O/c1-5-25-14(2)16(10-21-25)19(26)22-17-13-24(12-15(17)11-23(3)4)18-8-6-7-9-20-18/h6-10,15,17H,5,11-13H2,1-4H3,(H,22,26)/t15-,17-/m1/s1
InChIKeyHOQAHSSTEFSVSH-NVXWUHKLSA-N
XLogP1.40
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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4-(azetidine-1-carbonyl)-1-methyl-N-{2-[3-phenyl-1-(pyridin-2-yl)-1H-1,2,4-triazol-5-yl]ethyl}-1H-pyrazole-5-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-4-[(dimethylamino)methyl]-1-pyridin-2-ylpyrrolidin-3-yl]-1-ethyl-5-methylpyrazole-4-carboxamide?
The IUPAC name of N-[(3S,4R)-4-[(dimethylamino)methyl]-1-pyridin-2-ylpyrrolidin-3-yl]-1-ethyl-5-methylpyrazole-4-carboxamide (CID 91911092) is N-[(3S,4R)-4-[(dimethylamino)methyl]-1-pyridin-2-ylpyrrolidin-3-yl]-1-ethyl-5-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[(3S,4R)-4-[(dimethylamino)methyl]-1-pyridin-2-ylpyrrolidin-3-yl]-1-ethyl-5-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[(3S,4R)-4-[(dimethylamino)methyl]-1-pyridin-2-ylpyrrolidin-3-yl]-1-ethyl-5-methylpyrazole-4-carboxamide is CCn1ncc(C(=O)N[C@@H]2CN(c3ccccn3)C[C@H]2CN(C)C)c1C.
What is the InChIKey of N-[(3S,4R)-4-[(dimethylamino)methyl]-1-pyridin-2-ylpyrrolidin-3-yl]-1-ethyl-5-methylpyrazole-4-carboxamide?
The InChIKey is HOQAHSSTEFSVSH-NVXWUHKLSA-N. The full InChI is InChI=1S/C19H28N6O/c1-5-25-14(2)16(10-21-25)19(26)22-17-13-24(12-15(17)11-23(3)4)18-8-6-7-9-20-18/h6-10,15,17H,5,11-13H2,1-4H3,(H,22,26)/t15-,17-/m1/s1.
What are the key properties of N-[(3S,4R)-4-[(dimethylamino)methyl]-1-pyridin-2-ylpyrrolidin-3-yl]-1-ethyl-5-methylpyrazole-4-carboxamide?
N-[(3S,4R)-4-[(dimethylamino)methyl]-1-pyridin-2-ylpyrrolidin-3-yl]-1-ethyl-5-methylpyrazole-4-carboxamide has a molecular weight of 356.47 g/mol, XLogP of 1.40, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-4-[(dimethylamino)methyl]-1-pyridin-2-ylpyrrolidin-3-yl]-1-ethyl-5-methylpyrazole-4-carboxamide is sourced from PubChem (CID 91911092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).