N-[(3S)-1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidin-3-yl]pyrazine-2-carboxamide

C16H18N6O — CID 95111496

IUPACN-[(3S)-1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidin-3-yl]pyrazine-2-carboxamide
SMILESO=C(N[C@H]1CCN(c2ncnc3c2CCC3)C1)c1cnccn1
InChIInChI=1S/C16H18N6O/c23-16(14-8-17-5-6-18-14)21-11-4-7-22(9-11)15-12-2-1-3-13(12)19-10-20-15/h5-6,8,10-11H,1-4,7,9H2,(H,21,23)/t11-/m0/s1
InChIKeyNPYHYMTXEDAUEC-NSHDSACASA-N
MW310.36 g/mol
LogP0.76
Rot. Bonds3

About N-[(3S)-1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidin-3-yl]pyrazine-2-carboxamide

N-[(3S)-1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidin-3-yl]pyrazine-2-carboxamide (PubChem CID 95111496) has the molecular formula C16H18N6O and a molecular weight of 310.36 g/mol. Its IUPAC name is N-[(3S)-1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidin-3-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(3S)-1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidin-3-yl]pyrazine-2-carboxamide
PubChem CID95111496
Molecular FormulaC16H18N6O
Molecular Weight310.36 g/mol
Exact Mass310.15
IUPAC NameN-[(3S)-1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidin-3-yl]pyrazine-2-carboxamide
SMILESO=C(N[C@H]1CCN(c2ncnc3c2CCC3)C1)c1cnccn1
InChIInChI=1S/C16H18N6O/c23-16(14-8-17-5-6-18-14)21-11-4-7-22(9-11)15-12-2-1-3-13(12)19-10-20-15/h5-6,8,10-11H,1-4,7,9H2,(H,21,23)/t11-/m0/s1
InChIKeyNPYHYMTXEDAUEC-NSHDSACASA-N
XLogP0.76
TPSA83.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidin-3-yl]pyrazine-2-carboxamide?
The IUPAC name of N-[(3S)-1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidin-3-yl]pyrazine-2-carboxamide (CID 95111496) is N-[(3S)-1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidin-3-yl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[(3S)-1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidin-3-yl]pyrazine-2-carboxamide?
The canonical SMILES for N-[(3S)-1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidin-3-yl]pyrazine-2-carboxamide is O=C(N[C@H]1CCN(c2ncnc3c2CCC3)C1)c1cnccn1.
What is the InChIKey of N-[(3S)-1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidin-3-yl]pyrazine-2-carboxamide?
The InChIKey is NPYHYMTXEDAUEC-NSHDSACASA-N. The full InChI is InChI=1S/C16H18N6O/c23-16(14-8-17-5-6-18-14)21-11-4-7-22(9-11)15-12-2-1-3-13(12)19-10-20-15/h5-6,8,10-11H,1-4,7,9H2,(H,21,23)/t11-/m0/s1.
What are the key properties of N-[(3S)-1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidin-3-yl]pyrazine-2-carboxamide?
N-[(3S)-1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidin-3-yl]pyrazine-2-carboxamide has a molecular weight of 310.36 g/mol, XLogP of 0.76, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidin-3-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 95111496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).