N,N-dimethyl-6-[[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]amino]pyrazine-2-carboxamide

C17H21N5O2 — CID 135104961

IUPACN,N-dimethyl-6-[[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]amino]pyrazine-2-carboxamide
SMILESCN(C)C(=O)c1cncc(N[C@@H]2COC[C@H]2Cc2ccncc2)n1
InChIInChI=1S/C17H21N5O2/c1-22(2)17(23)14-8-19-9-16(20-14)21-15-11-24-10-13(15)7-12-3-5-18-6-4-12/h3-6,8-9,13,15H,7,10-11H2,1-2H3,(H,20,21)/t13-,15-/m1/s1
InChIKeySZBDFRUSGBLOPZ-UKRRQHHQSA-N
MW327.39 g/mol
LogP1.24
Rot. Bonds5

About N,N-dimethyl-6-[[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]amino]pyrazine-2-carboxamide

N,N-dimethyl-6-[[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]amino]pyrazine-2-carboxamide (PubChem CID 135104961) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is N,N-dimethyl-6-[[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]amino]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-6-[[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]amino]pyrazine-2-carboxamide
PubChem CID135104961
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC NameN,N-dimethyl-6-[[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]amino]pyrazine-2-carboxamide
SMILESCN(C)C(=O)c1cncc(N[C@@H]2COC[C@H]2Cc2ccncc2)n1
InChIInChI=1S/C17H21N5O2/c1-22(2)17(23)14-8-19-9-16(20-14)21-15-11-24-10-13(15)7-12-3-5-18-6-4-12/h3-6,8-9,13,15H,7,10-11H2,1-2H3,(H,20,21)/t13-,15-/m1/s1
InChIKeySZBDFRUSGBLOPZ-UKRRQHHQSA-N
XLogP1.24
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-6-[[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]amino]pyrazine-2-carboxamide?
The IUPAC name of N,N-dimethyl-6-[[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]amino]pyrazine-2-carboxamide (CID 135104961) is N,N-dimethyl-6-[[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]amino]pyrazine-2-carboxamide.
What is the SMILES notation for N,N-dimethyl-6-[[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]amino]pyrazine-2-carboxamide?
The canonical SMILES for N,N-dimethyl-6-[[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]amino]pyrazine-2-carboxamide is CN(C)C(=O)c1cncc(N[C@@H]2COC[C@H]2Cc2ccncc2)n1.
What is the InChIKey of N,N-dimethyl-6-[[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]amino]pyrazine-2-carboxamide?
The InChIKey is SZBDFRUSGBLOPZ-UKRRQHHQSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-22(2)17(23)14-8-19-9-16(20-14)21-15-11-24-10-13(15)7-12-3-5-18-6-4-12/h3-6,8-9,13,15H,7,10-11H2,1-2H3,(H,20,21)/t13-,15-/m1/s1.
What are the key properties of N,N-dimethyl-6-[[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]amino]pyrazine-2-carboxamide?
N,N-dimethyl-6-[[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]amino]pyrazine-2-carboxamide has a molecular weight of 327.39 g/mol, XLogP of 1.24, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-6-[[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]amino]pyrazine-2-carboxamide is sourced from PubChem (CID 135104961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).