N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-2-[(3R)-thiolan-3-yl]oxypyridine-3-carboxamide

C20H24N4O3S — CID 124841947

IUPACN-[(2-morpholin-4-yl-3-pyridinyl)methyl]-2-[(3R)-thiolan-3-yl]oxypyridine-3-carboxamide
SMILESO=C(NCc1cccnc1N1CCOCC1)c1cccnc1O[C@@H]1CCSC1
InChIInChI=1S/C20H24N4O3S/c25-19(17-4-2-7-22-20(17)27-16-5-12-28-14-16)23-13-15-3-1-6-21-18(15)24-8-10-26-11-9-24/h1-4,6-7,16H,5,8-14H2,(H,23,25)/t16-/m1/s1
InChIKeyBIKYLRAXGHWKCQ-MRXNPFEDSA-N
MW400.50 g/mol
LogP2.13
Rot. Bonds6

About N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-2-[(3R)-thiolan-3-yl]oxypyridine-3-carboxamide

N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-2-[(3R)-thiolan-3-yl]oxypyridine-3-carboxamide (PubChem CID 124841947) has the molecular formula C20H24N4O3S and a molecular weight of 400.50 g/mol. Its IUPAC name is N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-2-[(3R)-thiolan-3-yl]oxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-morpholin-4-yl-3-pyridinyl)methyl]-2-[(3R)-thiolan-3-yl]oxypyridine-3-carboxamide
PubChem CID124841947
Molecular FormulaC20H24N4O3S
Molecular Weight400.50 g/mol
Exact Mass400.16
IUPAC NameN-[(2-morpholin-4-yl-3-pyridinyl)methyl]-2-[(3R)-thiolan-3-yl]oxypyridine-3-carboxamide
SMILESO=C(NCc1cccnc1N1CCOCC1)c1cccnc1O[C@@H]1CCSC1
InChIInChI=1S/C20H24N4O3S/c25-19(17-4-2-7-22-20(17)27-16-5-12-28-14-16)23-13-15-3-1-6-21-18(15)24-8-10-26-11-9-24/h1-4,6-7,16H,5,8-14H2,(H,23,25)/t16-/m1/s1
InChIKeyBIKYLRAXGHWKCQ-MRXNPFEDSA-N
XLogP2.13
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.50
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(2-fluorophenyl)methyl]-2-[(3R)-thiolan-3-yl]oxypyridine-3-carboxamide
CID 124759309
N-(1H-indol-3-ylmethyl)-2-(thiolan-3-yloxy)pyridine-3-carboxamide
CID 91815756
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-[(3R)-thiolan-3-yl]oxypyridine-3-carboxamide
CID 124848421
N-[(2-pyrrolidin-1-yl-3-pyridinyl)methyl]-2-[(3S)-thiolan-3-yl]oxypyridine-4-carboxamide
CID 100735448
N-prop-2-ynyl-2-(thiolan-3-yloxy)pyridine-3-carboxamide
CID 91815769
N-(3-hydroxypropyl)-2-[(3S)-thiolan-3-yl]oxypyridine-3-carboxamide
CID 124864290
2-[(3R)-thiolan-3-yl]oxypyridine-3-carboxylic acid
CID 124680761
N-[2-(2-methylimidazol-1-yl)ethyl]-2-(thiolan-3-yloxy)pyridine-3-carboxamide
CID 91815696
N-[[4-(4-methylphenyl)-1,2,4-triazol-3-yl]methyl]-2-[(3S)-thiolan-3-yl]oxypyridine-3-carboxamide
CID 124844112
tert-butyl N-[3-[[2-(thiolan-3-yloxy)pyridine-3-carbonyl]amino]propyl]carbamate
CID 91815760
N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-6-[(3S)-oxolan-3-yl]oxypyridine-3-carboxamide
CID 100731047
N-(2-indol-1-ylethyl)-2-[(3R)-thiolan-3-yl]oxypyridine-3-carboxamide
CID 124759918

Frequently Asked Questions

What is the IUPAC name of N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-2-[(3R)-thiolan-3-yl]oxypyridine-3-carboxamide?
The IUPAC name of N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-2-[(3R)-thiolan-3-yl]oxypyridine-3-carboxamide (CID 124841947) is N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-2-[(3R)-thiolan-3-yl]oxypyridine-3-carboxamide.
What is the SMILES notation for N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-2-[(3R)-thiolan-3-yl]oxypyridine-3-carboxamide?
The canonical SMILES for N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-2-[(3R)-thiolan-3-yl]oxypyridine-3-carboxamide is O=C(NCc1cccnc1N1CCOCC1)c1cccnc1O[C@@H]1CCSC1.
What is the InChIKey of N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-2-[(3R)-thiolan-3-yl]oxypyridine-3-carboxamide?
The InChIKey is BIKYLRAXGHWKCQ-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H24N4O3S/c25-19(17-4-2-7-22-20(17)27-16-5-12-28-14-16)23-13-15-3-1-6-21-18(15)24-8-10-26-11-9-24/h1-4,6-7,16H,5,8-14H2,(H,23,25)/t16-/m1/s1.
What are the key properties of N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-2-[(3R)-thiolan-3-yl]oxypyridine-3-carboxamide?
N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-2-[(3R)-thiolan-3-yl]oxypyridine-3-carboxamide has a molecular weight of 400.50 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-2-[(3R)-thiolan-3-yl]oxypyridine-3-carboxamide is sourced from PubChem (CID 124841947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).