1-[3-chloro-5-[(1S)-1,2-dihydroxyethyl]-2-pyridinyl]-N-methyl-3,6-dihydro-2H-pyridine-4-carboxamide

C14H18ClN3O3 — CID 59334805

IUPAC1-[3-chloro-5-[(1S)-1,2-dihydroxyethyl]-2-pyridinyl]-N-methyl-3,6-dihydro-2H-pyridine-4-carboxamide
SMILESCNC(=O)C1=CCN(c2ncc([C@H](O)CO)cc2Cl)CC1
InChIInChI=1S/C14H18ClN3O3/c1-16-14(21)9-2-4-18(5-3-9)13-11(15)6-10(7-17-13)12(20)8-19/h2,6-7,12,19-20H,3-5,8H2,1H3,(H,16,21)/t12-/m1/s1
InChIKeyUYRCOOHOWSIVRY-GFCCVEGCSA-N
MW311.77 g/mol
LogP0.64
Rot. Bonds4

About 1-[3-chloro-5-[(1S)-1,2-dihydroxyethyl]-2-pyridinyl]-N-methyl-3,6-dihydro-2H-pyridine-4-carboxamide

1-[3-chloro-5-[(1S)-1,2-dihydroxyethyl]-2-pyridinyl]-N-methyl-3,6-dihydro-2H-pyridine-4-carboxamide (PubChem CID 59334805) has the molecular formula C14H18ClN3O3 and a molecular weight of 311.77 g/mol. Its IUPAC name is 1-[3-chloro-5-[(1S)-1,2-dihydroxyethyl]-2-pyridinyl]-N-methyl-3,6-dihydro-2H-pyridine-4-carboxamide.

Molecular Properties

Compound Name1-[3-chloro-5-[(1S)-1,2-dihydroxyethyl]-2-pyridinyl]-N-methyl-3,6-dihydro-2H-pyridine-4-carboxamide
PubChem CID59334805
Molecular FormulaC14H18ClN3O3
Molecular Weight311.77 g/mol
Exact Mass311.10
IUPAC Name1-[3-chloro-5-[(1S)-1,2-dihydroxyethyl]-2-pyridinyl]-N-methyl-3,6-dihydro-2H-pyridine-4-carboxamide
SMILESCNC(=O)C1=CCN(c2ncc([C@H](O)CO)cc2Cl)CC1
InChIInChI=1S/C14H18ClN3O3/c1-16-14(21)9-2-4-18(5-3-9)13-11(15)6-10(7-17-13)12(20)8-19/h2,6-7,12,19-20H,3-5,8H2,1H3,(H,16,21)/t12-/m1/s1
InChIKeyUYRCOOHOWSIVRY-GFCCVEGCSA-N
XLogP0.64
TPSA85.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.77
LogP ≤ 50.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-5-[(1S)-1,2-dihydroxyethyl]-2-pyridinyl]-N-methyl-3,6-dihydro-2H-pyridine-4-carboxamide?
The IUPAC name of 1-[3-chloro-5-[(1S)-1,2-dihydroxyethyl]-2-pyridinyl]-N-methyl-3,6-dihydro-2H-pyridine-4-carboxamide (CID 59334805) is 1-[3-chloro-5-[(1S)-1,2-dihydroxyethyl]-2-pyridinyl]-N-methyl-3,6-dihydro-2H-pyridine-4-carboxamide.
What is the SMILES notation for 1-[3-chloro-5-[(1S)-1,2-dihydroxyethyl]-2-pyridinyl]-N-methyl-3,6-dihydro-2H-pyridine-4-carboxamide?
The canonical SMILES for 1-[3-chloro-5-[(1S)-1,2-dihydroxyethyl]-2-pyridinyl]-N-methyl-3,6-dihydro-2H-pyridine-4-carboxamide is CNC(=O)C1=CCN(c2ncc([C@H](O)CO)cc2Cl)CC1.
What is the InChIKey of 1-[3-chloro-5-[(1S)-1,2-dihydroxyethyl]-2-pyridinyl]-N-methyl-3,6-dihydro-2H-pyridine-4-carboxamide?
The InChIKey is UYRCOOHOWSIVRY-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H18ClN3O3/c1-16-14(21)9-2-4-18(5-3-9)13-11(15)6-10(7-17-13)12(20)8-19/h2,6-7,12,19-20H,3-5,8H2,1H3,(H,16,21)/t12-/m1/s1.
What are the key properties of 1-[3-chloro-5-[(1S)-1,2-dihydroxyethyl]-2-pyridinyl]-N-methyl-3,6-dihydro-2H-pyridine-4-carboxamide?
1-[3-chloro-5-[(1S)-1,2-dihydroxyethyl]-2-pyridinyl]-N-methyl-3,6-dihydro-2H-pyridine-4-carboxamide has a molecular weight of 311.77 g/mol, XLogP of 0.64, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-5-[(1S)-1,2-dihydroxyethyl]-2-pyridinyl]-N-methyl-3,6-dihydro-2H-pyridine-4-carboxamide is sourced from PubChem (CID 59334805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).