N-[(3R,4S)-1-(3-cyano-4,6-dimethyl-2-pyridinyl)-4-propylpyrrolidin-3-yl]-3-methoxypropanamide;hydrochloride

C19H29ClN4O2 — CID 154898457

IUPACN-[(3R,4S)-1-(3-cyano-4,6-dimethyl-2-pyridinyl)-4-propylpyrrolidin-3-yl]-3-methoxypropanamide;hydrochloride
SMILESCCC[C@H]1CN(c2nc(C)cc(C)c2C#N)C[C@@H]1NC(=O)CCOC.Cl
InChIInChI=1S/C19H28N4O2.ClH/c1-5-6-15-11-23(12-17(15)22-18(24)7-8-25-4)19-16(10-20)13(2)9-14(3)21-19;/h9,15,17H,5-8,11-12H2,1-4H3,(H,22,24);1H/t15-,17-;/m0./s1
InChIKeyDVDSZZSFRYIUMC-NBLXOJGSSA-N
MW380.92 g/mol
LogP2.75
Rot. Bonds7

About N-[(3R,4S)-1-(3-cyano-4,6-dimethyl-2-pyridinyl)-4-propylpyrrolidin-3-yl]-3-methoxypropanamide;hydrochloride

N-[(3R,4S)-1-(3-cyano-4,6-dimethyl-2-pyridinyl)-4-propylpyrrolidin-3-yl]-3-methoxypropanamide;hydrochloride (PubChem CID 154898457) has the molecular formula C19H29ClN4O2 and a molecular weight of 380.92 g/mol. Its IUPAC name is N-[(3R,4S)-1-(3-cyano-4,6-dimethyl-2-pyridinyl)-4-propylpyrrolidin-3-yl]-3-methoxypropanamide;hydrochloride.

Molecular Properties

Compound NameN-[(3R,4S)-1-(3-cyano-4,6-dimethyl-2-pyridinyl)-4-propylpyrrolidin-3-yl]-3-methoxypropanamide;hydrochloride
PubChem CID154898457
Molecular FormulaC19H29ClN4O2
Molecular Weight380.92 g/mol
Exact Mass380.20
IUPAC NameN-[(3R,4S)-1-(3-cyano-4,6-dimethyl-2-pyridinyl)-4-propylpyrrolidin-3-yl]-3-methoxypropanamide;hydrochloride
SMILESCCC[C@H]1CN(c2nc(C)cc(C)c2C#N)C[C@@H]1NC(=O)CCOC.Cl
InChIInChI=1S/C19H28N4O2.ClH/c1-5-6-15-11-23(12-17(15)22-18(24)7-8-25-4)19-16(10-20)13(2)9-14(3)21-19;/h9,15,17H,5-8,11-12H2,1-4H3,(H,22,24);1H/t15-,17-;/m0./s1
InChIKeyDVDSZZSFRYIUMC-NBLXOJGSSA-N
XLogP2.75
TPSA78.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.92
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-1-(3-cyano-4,6-dimethyl-2-pyridinyl)-4-propylpyrrolidin-3-yl]-3-methoxypropanamide;hydrochloride?
The IUPAC name of N-[(3R,4S)-1-(3-cyano-4,6-dimethyl-2-pyridinyl)-4-propylpyrrolidin-3-yl]-3-methoxypropanamide;hydrochloride (CID 154898457) is N-[(3R,4S)-1-(3-cyano-4,6-dimethyl-2-pyridinyl)-4-propylpyrrolidin-3-yl]-3-methoxypropanamide;hydrochloride.
What is the SMILES notation for N-[(3R,4S)-1-(3-cyano-4,6-dimethyl-2-pyridinyl)-4-propylpyrrolidin-3-yl]-3-methoxypropanamide;hydrochloride?
The canonical SMILES for N-[(3R,4S)-1-(3-cyano-4,6-dimethyl-2-pyridinyl)-4-propylpyrrolidin-3-yl]-3-methoxypropanamide;hydrochloride is CCC[C@H]1CN(c2nc(C)cc(C)c2C#N)C[C@@H]1NC(=O)CCOC.Cl.
What is the InChIKey of N-[(3R,4S)-1-(3-cyano-4,6-dimethyl-2-pyridinyl)-4-propylpyrrolidin-3-yl]-3-methoxypropanamide;hydrochloride?
The InChIKey is DVDSZZSFRYIUMC-NBLXOJGSSA-N. The full InChI is InChI=1S/C19H28N4O2.ClH/c1-5-6-15-11-23(12-17(15)22-18(24)7-8-25-4)19-16(10-20)13(2)9-14(3)21-19;/h9,15,17H,5-8,11-12H2,1-4H3,(H,22,24);1H/t15-,17-;/m0./s1.
What are the key properties of N-[(3R,4S)-1-(3-cyano-4,6-dimethyl-2-pyridinyl)-4-propylpyrrolidin-3-yl]-3-methoxypropanamide;hydrochloride?
N-[(3R,4S)-1-(3-cyano-4,6-dimethyl-2-pyridinyl)-4-propylpyrrolidin-3-yl]-3-methoxypropanamide;hydrochloride has a molecular weight of 380.92 g/mol, XLogP of 2.75, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-1-(3-cyano-4,6-dimethyl-2-pyridinyl)-4-propylpyrrolidin-3-yl]-3-methoxypropanamide;hydrochloride is sourced from PubChem (CID 154898457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).