N-ethyl-6-[[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]amino]pyridine-3-carboxamide

C18H22N4O2 — CID 135110585

IUPACN-ethyl-6-[[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]amino]pyridine-3-carboxamide
SMILESCCNC(=O)c1ccc(N[C@H]2COC[C@H]2Cc2ccncc2)nc1
InChIInChI=1S/C18H22N4O2/c1-2-20-18(23)14-3-4-17(21-10-14)22-16-12-24-11-15(16)9-13-5-7-19-8-6-13/h3-8,10,15-16H,2,9,11-12H2,1H3,(H,20,23)(H,21,22)/t15-,16+/m1/s1
InChIKeySTYXZFXICIIPRV-CVEARBPZSA-N
MW326.40 g/mol
LogP1.90
Rot. Bonds6

About N-ethyl-6-[[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]amino]pyridine-3-carboxamide

N-ethyl-6-[[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]amino]pyridine-3-carboxamide (PubChem CID 135110585) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-ethyl-6-[[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]amino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-6-[[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]amino]pyridine-3-carboxamide
PubChem CID135110585
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC NameN-ethyl-6-[[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]amino]pyridine-3-carboxamide
SMILESCCNC(=O)c1ccc(N[C@H]2COC[C@H]2Cc2ccncc2)nc1
InChIInChI=1S/C18H22N4O2/c1-2-20-18(23)14-3-4-17(21-10-14)22-16-12-24-11-15(16)9-13-5-7-19-8-6-13/h3-8,10,15-16H,2,9,11-12H2,1H3,(H,20,23)(H,21,22)/t15-,16+/m1/s1
InChIKeySTYXZFXICIIPRV-CVEARBPZSA-N
XLogP1.90
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

piperidin-1-yl-[6-[[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]amino]-3-pyridinyl]methanone
CID 135095898
6-(dimethylamino)-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pyridine-3-carboxamide
CID 134695947
4-tert-butyl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide
CID 135106892
5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pyridin-2-amine
CID 162634340
3,4-diethoxy-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide
CID 134705516
N,N-dimethyl-6-[[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]amino]pyrazine-2-carboxamide
CID 135104961
2-pyridin-3-yl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pyrimidine-5-carboxamide
CID 135116799
5-chloro-6-[[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]amino]pyridine-3-carboxylic acid
CID 162627567
2-anilino-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pyrimidine-5-carboxamide
CID 162626374
3,5-dimethoxy-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide
CID 134695838
4-piperidin-1-yl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide
CID 135096933
3,6-dimethyl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pyrazin-2-amine
CID 134698415

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-[[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]amino]pyridine-3-carboxamide?
The IUPAC name of N-ethyl-6-[[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]amino]pyridine-3-carboxamide (CID 135110585) is N-ethyl-6-[[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]amino]pyridine-3-carboxamide.
What is the SMILES notation for N-ethyl-6-[[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]amino]pyridine-3-carboxamide?
The canonical SMILES for N-ethyl-6-[[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]amino]pyridine-3-carboxamide is CCNC(=O)c1ccc(N[C@H]2COC[C@H]2Cc2ccncc2)nc1.
What is the InChIKey of N-ethyl-6-[[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]amino]pyridine-3-carboxamide?
The InChIKey is STYXZFXICIIPRV-CVEARBPZSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-2-20-18(23)14-3-4-17(21-10-14)22-16-12-24-11-15(16)9-13-5-7-19-8-6-13/h3-8,10,15-16H,2,9,11-12H2,1H3,(H,20,23)(H,21,22)/t15-,16+/m1/s1.
What are the key properties of N-ethyl-6-[[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]amino]pyridine-3-carboxamide?
N-ethyl-6-[[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]amino]pyridine-3-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 1.90, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-[[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]amino]pyridine-3-carboxamide is sourced from PubChem (CID 135110585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).