N-[(2-pyrrolidin-1-yl-3-pyridinyl)methyl]-2-[(3S)-thiolan-3-yl]oxypyridine-4-carboxamide

C20H24N4O2S — CID 100735448

IUPACN-[(2-pyrrolidin-1-yl-3-pyridinyl)methyl]-2-[(3S)-thiolan-3-yl]oxypyridine-4-carboxamide
SMILESO=C(NCc1cccnc1N1CCCC1)c1ccnc(O[C@H]2CCSC2)c1
InChIInChI=1S/C20H24N4O2S/c25-20(15-5-8-21-18(12-15)26-17-6-11-27-14-17)23-13-16-4-3-7-22-19(16)24-9-1-2-10-24/h3-5,7-8,12,17H,1-2,6,9-11,13-14H2,(H,23,25)/t17-/m0/s1
InChIKeyVFHRQBRXTSGVKC-KRWDZBQOSA-N
MW384.51 g/mol
LogP2.89
Rot. Bonds6

About N-[(2-pyrrolidin-1-yl-3-pyridinyl)methyl]-2-[(3S)-thiolan-3-yl]oxypyridine-4-carboxamide

N-[(2-pyrrolidin-1-yl-3-pyridinyl)methyl]-2-[(3S)-thiolan-3-yl]oxypyridine-4-carboxamide (PubChem CID 100735448) has the molecular formula C20H24N4O2S and a molecular weight of 384.51 g/mol. Its IUPAC name is N-[(2-pyrrolidin-1-yl-3-pyridinyl)methyl]-2-[(3S)-thiolan-3-yl]oxypyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(2-pyrrolidin-1-yl-3-pyridinyl)methyl]-2-[(3S)-thiolan-3-yl]oxypyridine-4-carboxamide
PubChem CID100735448
Molecular FormulaC20H24N4O2S
Molecular Weight384.51 g/mol
Exact Mass384.16
IUPAC NameN-[(2-pyrrolidin-1-yl-3-pyridinyl)methyl]-2-[(3S)-thiolan-3-yl]oxypyridine-4-carboxamide
SMILESO=C(NCc1cccnc1N1CCCC1)c1ccnc(O[C@H]2CCSC2)c1
InChIInChI=1S/C20H24N4O2S/c25-20(15-5-8-21-18(12-15)26-17-6-11-27-14-17)23-13-16-4-3-7-22-19(16)24-9-1-2-10-24/h3-5,7-8,12,17H,1-2,6,9-11,13-14H2,(H,23,25)/t17-/m0/s1
InChIKeyVFHRQBRXTSGVKC-KRWDZBQOSA-N
XLogP2.89
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.51
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(2-pyrrolidin-1-yl-3-pyridinyl)methyl]-2-[(3S)-thiolan-3-yl]oxypyridine-4-carboxamide with MolForge

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Related Compounds

N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-2-[(3R)-thiolan-3-yl]oxypyridine-3-carboxamide
CID 124841947
N-pyrimidin-2-yl-2-[(3S)-thiolan-3-yl]oxypyridine-4-carboxamide
CID 100734562
2-(dimethylamino)-N-[(2-piperidin-1-yl-3-pyridinyl)methyl]pyridine-4-carboxamide
CID 51093842
N-(2-phenoxyethyl)-2-[(3S)-thiolan-3-yl]oxypyridine-4-carboxamide
CID 100735245
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-[(3S)-thiolan-3-yl]oxypyridine-4-carboxamide
CID 124760779
N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-[(3R)-thiolan-3-yl]oxypyridine-4-carboxamide
CID 100734114
N-[[6-(diethylamino)-3-pyridinyl]methyl]-2-[(3R)-thiolan-3-yl]oxypyridine-4-carboxamide
CID 100735623
N-(1-benzylpiperidin-4-yl)-2-(thiolan-3-yloxy)pyridine-4-carboxamide
CID 91815641
N-(2,2-diethoxyethyl)-2-[(3S)-thiolan-3-yl]oxypyridine-4-carboxamide
CID 100733843
N-[2-(1H-indol-3-yl)ethyl]-2-[(3R)-thiolan-3-yl]oxypyridine-4-carboxamide
CID 100734079
2-cyclopentyloxy-N-(pyridin-2-ylmethyl)pyridine-4-carboxamide
CID 91815463
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(3S)-thiolan-3-yl]oxypyridine-4-carboxamide
CID 100734053

Frequently Asked Questions

What is the IUPAC name of N-[(2-pyrrolidin-1-yl-3-pyridinyl)methyl]-2-[(3S)-thiolan-3-yl]oxypyridine-4-carboxamide?
The IUPAC name of N-[(2-pyrrolidin-1-yl-3-pyridinyl)methyl]-2-[(3S)-thiolan-3-yl]oxypyridine-4-carboxamide (CID 100735448) is N-[(2-pyrrolidin-1-yl-3-pyridinyl)methyl]-2-[(3S)-thiolan-3-yl]oxypyridine-4-carboxamide.
What is the SMILES notation for N-[(2-pyrrolidin-1-yl-3-pyridinyl)methyl]-2-[(3S)-thiolan-3-yl]oxypyridine-4-carboxamide?
The canonical SMILES for N-[(2-pyrrolidin-1-yl-3-pyridinyl)methyl]-2-[(3S)-thiolan-3-yl]oxypyridine-4-carboxamide is O=C(NCc1cccnc1N1CCCC1)c1ccnc(O[C@H]2CCSC2)c1.
What is the InChIKey of N-[(2-pyrrolidin-1-yl-3-pyridinyl)methyl]-2-[(3S)-thiolan-3-yl]oxypyridine-4-carboxamide?
The InChIKey is VFHRQBRXTSGVKC-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H24N4O2S/c25-20(15-5-8-21-18(12-15)26-17-6-11-27-14-17)23-13-16-4-3-7-22-19(16)24-9-1-2-10-24/h3-5,7-8,12,17H,1-2,6,9-11,13-14H2,(H,23,25)/t17-/m0/s1.
What are the key properties of N-[(2-pyrrolidin-1-yl-3-pyridinyl)methyl]-2-[(3S)-thiolan-3-yl]oxypyridine-4-carboxamide?
N-[(2-pyrrolidin-1-yl-3-pyridinyl)methyl]-2-[(3S)-thiolan-3-yl]oxypyridine-4-carboxamide has a molecular weight of 384.51 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-pyrrolidin-1-yl-3-pyridinyl)methyl]-2-[(3S)-thiolan-3-yl]oxypyridine-4-carboxamide is sourced from PubChem (CID 100735448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).