N-[(3S,4R)-4-[(dimethylamino)methyl]-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]-3-pyrazol-1-ylpropanamide

C19H28N6O — CID 91923182

IUPACN-[(3S,4R)-4-[(dimethylamino)methyl]-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]-3-pyrazol-1-ylpropanamide
SMILESCN(C)C[C@@H]1CN(Cc2cccnc2)C[C@H]1NC(=O)CCn1cccn1
InChIInChI=1S/C19H28N6O/c1-23(2)13-17-14-24(12-16-5-3-7-20-11-16)15-18(17)22-19(26)6-10-25-9-4-8-21-25/h3-5,7-9,11,17-18H,6,10,12-15H2,1-2H3,(H,22,26)/t17-,18-/m1/s1
InChIKeyYJAYVIMWDLICFX-QZTJIDSGSA-N
MW356.47 g/mol
LogP0.85
Rot. Bonds8

About N-[(3S,4R)-4-[(dimethylamino)methyl]-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]-3-pyrazol-1-ylpropanamide

N-[(3S,4R)-4-[(dimethylamino)methyl]-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]-3-pyrazol-1-ylpropanamide (PubChem CID 91923182) 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-3-ylmethyl)pyrrolidin-3-yl]-3-pyrazol-1-ylpropanamide.

Molecular Properties

Compound NameN-[(3S,4R)-4-[(dimethylamino)methyl]-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]-3-pyrazol-1-ylpropanamide
PubChem CID91923182
Molecular FormulaC19H28N6O
Molecular Weight356.47 g/mol
Exact Mass356.23
IUPAC NameN-[(3S,4R)-4-[(dimethylamino)methyl]-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]-3-pyrazol-1-ylpropanamide
SMILESCN(C)C[C@@H]1CN(Cc2cccnc2)C[C@H]1NC(=O)CCn1cccn1
InChIInChI=1S/C19H28N6O/c1-23(2)13-17-14-24(12-16-5-3-7-20-11-16)15-18(17)22-19(26)6-10-25-9-4-8-21-25/h3-5,7-9,11,17-18H,6,10,12-15H2,1-2H3,(H,22,26)/t17-,18-/m1/s1
InChIKeyYJAYVIMWDLICFX-QZTJIDSGSA-N
XLogP0.85
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-4-[(dimethylamino)methyl]-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]-3-pyrazol-1-ylpropanamide?
The IUPAC name of N-[(3S,4R)-4-[(dimethylamino)methyl]-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]-3-pyrazol-1-ylpropanamide (CID 91923182) is N-[(3S,4R)-4-[(dimethylamino)methyl]-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]-3-pyrazol-1-ylpropanamide.
What is the SMILES notation for N-[(3S,4R)-4-[(dimethylamino)methyl]-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]-3-pyrazol-1-ylpropanamide?
The canonical SMILES for N-[(3S,4R)-4-[(dimethylamino)methyl]-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]-3-pyrazol-1-ylpropanamide is CN(C)C[C@@H]1CN(Cc2cccnc2)C[C@H]1NC(=O)CCn1cccn1.
What is the InChIKey of N-[(3S,4R)-4-[(dimethylamino)methyl]-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]-3-pyrazol-1-ylpropanamide?
The InChIKey is YJAYVIMWDLICFX-QZTJIDSGSA-N. The full InChI is InChI=1S/C19H28N6O/c1-23(2)13-17-14-24(12-16-5-3-7-20-11-16)15-18(17)22-19(26)6-10-25-9-4-8-21-25/h3-5,7-9,11,17-18H,6,10,12-15H2,1-2H3,(H,22,26)/t17-,18-/m1/s1.
What are the key properties of N-[(3S,4R)-4-[(dimethylamino)methyl]-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]-3-pyrazol-1-ylpropanamide?
N-[(3S,4R)-4-[(dimethylamino)methyl]-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]-3-pyrazol-1-ylpropanamide has a molecular weight of 356.47 g/mol, XLogP of 0.85, 8 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-3-ylmethyl)pyrrolidin-3-yl]-3-pyrazol-1-ylpropanamide is sourced from PubChem (CID 91923182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).