2-pyridin-3-yl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pyrimidine-5-carboxamide

C20H19N5O2 — CID 135116799

IUPAC2-pyridin-3-yl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pyrimidine-5-carboxamide
SMILESO=C(N[C@H]1COC[C@H]1Cc1ccncc1)c1cnc(-c2cccnc2)nc1
InChIInChI=1S/C20H19N5O2/c26-20(17-10-23-19(24-11-17)15-2-1-5-22-9-15)25-18-13-27-12-16(18)8-14-3-6-21-7-4-14/h1-7,9-11,16,18H,8,12-13H2,(H,25,26)/t16-,18+/m1/s1
InChIKeyGKKWIKKYXVWCDB-AEFFLSMTSA-N
MW361.41 g/mol
LogP1.92
Rot. Bonds5

About 2-pyridin-3-yl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pyrimidine-5-carboxamide

2-pyridin-3-yl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pyrimidine-5-carboxamide (PubChem CID 135116799) has the molecular formula C20H19N5O2 and a molecular weight of 361.41 g/mol. Its IUPAC name is 2-pyridin-3-yl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-pyridin-3-yl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pyrimidine-5-carboxamide
PubChem CID135116799
Molecular FormulaC20H19N5O2
Molecular Weight361.41 g/mol
Exact Mass361.15
IUPAC Name2-pyridin-3-yl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pyrimidine-5-carboxamide
SMILESO=C(N[C@H]1COC[C@H]1Cc1ccncc1)c1cnc(-c2cccnc2)nc1
InChIInChI=1S/C20H19N5O2/c26-20(17-10-23-19(24-11-17)15-2-1-5-22-9-15)25-18-13-27-12-16(18)8-14-3-6-21-7-4-14/h1-7,9-11,16,18H,8,12-13H2,(H,25,26)/t16-,18+/m1/s1
InChIKeyGKKWIKKYXVWCDB-AEFFLSMTSA-N
XLogP1.92
TPSA89.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-pyridin-3-yl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pyrimidine-5-carboxamide with MolForge

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Related Compounds

2-anilino-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pyrimidine-5-carboxamide
CID 162626374
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
3,5-dimethoxy-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide
CID 134695838
3,4-diethoxy-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide
CID 134705516
4-piperidin-1-yl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide
CID 135096933
3-methylsulfonyl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide
CID 134708693
N-ethyl-6-[[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]amino]pyridine-3-carboxamide
CID 135110585
2-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide
CID 135105880
N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 135100774
N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]cyclopentanecarboxamide
CID 135107014
N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-2,3-dihydro-1H-indene-2-carboxamide
CID 134695488

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-3-yl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pyrimidine-5-carboxamide?
The IUPAC name of 2-pyridin-3-yl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pyrimidine-5-carboxamide (CID 135116799) is 2-pyridin-3-yl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-pyridin-3-yl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-pyridin-3-yl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pyrimidine-5-carboxamide is O=C(N[C@H]1COC[C@H]1Cc1ccncc1)c1cnc(-c2cccnc2)nc1.
What is the InChIKey of 2-pyridin-3-yl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pyrimidine-5-carboxamide?
The InChIKey is GKKWIKKYXVWCDB-AEFFLSMTSA-N. The full InChI is InChI=1S/C20H19N5O2/c26-20(17-10-23-19(24-11-17)15-2-1-5-22-9-15)25-18-13-27-12-16(18)8-14-3-6-21-7-4-14/h1-7,9-11,16,18H,8,12-13H2,(H,25,26)/t16-,18+/m1/s1.
What are the key properties of 2-pyridin-3-yl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pyrimidine-5-carboxamide?
2-pyridin-3-yl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pyrimidine-5-carboxamide has a molecular weight of 361.41 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-3-yl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pyrimidine-5-carboxamide is sourced from PubChem (CID 135116799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).