5-chloro-6-[[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]amino]pyridine-3-carboxylic acid

C16H16ClN3O3 — CID 162627567

IUPAC5-chloro-6-[[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]amino]pyridine-3-carboxylic acid
SMILESO=C(O)c1cnc(N[C@@H]2COC[C@H]2Cc2ccncc2)c(Cl)c1
InChIInChI=1S/C16H16ClN3O3/c17-13-6-11(16(21)22)7-19-15(13)20-14-9-23-8-12(14)5-10-1-3-18-4-2-10/h1-4,6-7,12,14H,5,8-9H2,(H,19,20)(H,21,22)/t12-,14-/m1/s1
InChIKeyGNEQBLMMIOJOTP-TZMCWYRMSA-N
MW333.78 g/mol
LogP2.50
Rot. Bonds5

About 5-chloro-6-[[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]amino]pyridine-3-carboxylic acid

5-chloro-6-[[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]amino]pyridine-3-carboxylic acid (PubChem CID 162627567) has the molecular formula C16H16ClN3O3 and a molecular weight of 333.78 g/mol. Its IUPAC name is 5-chloro-6-[[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-chloro-6-[[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]amino]pyridine-3-carboxylic acid
PubChem CID162627567
Molecular FormulaC16H16ClN3O3
Molecular Weight333.78 g/mol
Exact Mass333.09
IUPAC Name5-chloro-6-[[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]amino]pyridine-3-carboxylic acid
SMILESO=C(O)c1cnc(N[C@@H]2COC[C@H]2Cc2ccncc2)c(Cl)c1
InChIInChI=1S/C16H16ClN3O3/c17-13-6-11(16(21)22)7-19-15(13)20-14-9-23-8-12(14)5-10-1-3-18-4-2-10/h1-4,6-7,12,14H,5,8-9H2,(H,19,20)(H,21,22)/t12-,14-/m1/s1
InChIKeyGNEQBLMMIOJOTP-TZMCWYRMSA-N
XLogP2.50
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.78
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-chloro-6-[[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]amino]pyridine-3-carboxylic acid with MolForge

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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
N-ethyl-6-[[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]amino]pyridine-3-carboxamide
CID 135110585
3-chloro-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-4-pyrrolidin-1-ylbenzamide
CID 135114938
3,6-dimethyl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pyrazin-2-amine
CID 134698415
5-chloro-6-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methylamino]pyridine-3-carboxylic acid
CID 136552683
5-chloro-6-methyl-4-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pyrimidine-2,4-diamine
CID 135097590
2-anilino-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pyrimidine-5-carboxamide
CID 162626374
4-tert-butyl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide
CID 135106892
6-(dimethylamino)-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pyridine-3-carboxamide
CID 134695947
2-pyridin-3-yl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pyrimidine-5-carboxamide
CID 135116799
2-cyclopentyl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide
CID 135101855
2-methoxy-2-methyl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]propanamide
CID 135092017

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]amino]pyridine-3-carboxylic acid?
The IUPAC name of 5-chloro-6-[[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]amino]pyridine-3-carboxylic acid (CID 162627567) is 5-chloro-6-[[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-chloro-6-[[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]amino]pyridine-3-carboxylic acid?
The canonical SMILES for 5-chloro-6-[[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]amino]pyridine-3-carboxylic acid is O=C(O)c1cnc(N[C@@H]2COC[C@H]2Cc2ccncc2)c(Cl)c1.
What is the InChIKey of 5-chloro-6-[[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]amino]pyridine-3-carboxylic acid?
The InChIKey is GNEQBLMMIOJOTP-TZMCWYRMSA-N. The full InChI is InChI=1S/C16H16ClN3O3/c17-13-6-11(16(21)22)7-19-15(13)20-14-9-23-8-12(14)5-10-1-3-18-4-2-10/h1-4,6-7,12,14H,5,8-9H2,(H,19,20)(H,21,22)/t12-,14-/m1/s1.
What are the key properties of 5-chloro-6-[[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]amino]pyridine-3-carboxylic acid?
5-chloro-6-[[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]amino]pyridine-3-carboxylic acid has a molecular weight of 333.78 g/mol, XLogP of 2.50, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 162627567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).