3-cyclopropyl-N-[(1S,2S)-2-[(5-methylpyrazin-2-yl)amino]cyclopentyl]pyridine-2-carboxamide

C19H23N5O — CID 118317093

IUPAC3-cyclopropyl-N-[(1S,2S)-2-[(5-methylpyrazin-2-yl)amino]cyclopentyl]pyridine-2-carboxamide
SMILESCc1cnc(N[C@H]2CCC[C@@H]2NC(=O)c2ncccc2C2CC2)cn1
InChIInChI=1S/C19H23N5O/c1-12-10-22-17(11-21-12)23-15-5-2-6-16(15)24-19(25)18-14(13-7-8-13)4-3-9-20-18/h3-4,9-11,13,15-16H,2,5-8H2,1H3,(H,22,23)(H,24,25)/t15-,16-/m0/s1
InChIKeyNLWKVSAFWUGALR-HOTGVXAUSA-N
MW337.43 g/mol
LogP2.82
Rot. Bonds5

About 3-cyclopropyl-N-[(1S,2S)-2-[(5-methylpyrazin-2-yl)amino]cyclopentyl]pyridine-2-carboxamide

3-cyclopropyl-N-[(1S,2S)-2-[(5-methylpyrazin-2-yl)amino]cyclopentyl]pyridine-2-carboxamide (PubChem CID 118317093) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is 3-cyclopropyl-N-[(1S,2S)-2-[(5-methylpyrazin-2-yl)amino]cyclopentyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-cyclopropyl-N-[(1S,2S)-2-[(5-methylpyrazin-2-yl)amino]cyclopentyl]pyridine-2-carboxamide
PubChem CID118317093
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC Name3-cyclopropyl-N-[(1S,2S)-2-[(5-methylpyrazin-2-yl)amino]cyclopentyl]pyridine-2-carboxamide
SMILESCc1cnc(N[C@H]2CCC[C@@H]2NC(=O)c2ncccc2C2CC2)cn1
InChIInChI=1S/C19H23N5O/c1-12-10-22-17(11-21-12)23-15-5-2-6-16(15)24-19(25)18-14(13-7-8-13)4-3-9-20-18/h3-4,9-11,13,15-16H,2,5-8H2,1H3,(H,22,23)(H,24,25)/t15-,16-/m0/s1
InChIKeyNLWKVSAFWUGALR-HOTGVXAUSA-N
XLogP2.82
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-[(1S,2S)-2-[(5-methylpyrazin-2-yl)amino]cyclopentyl]pyridine-2-carboxamide?
The IUPAC name of 3-cyclopropyl-N-[(1S,2S)-2-[(5-methylpyrazin-2-yl)amino]cyclopentyl]pyridine-2-carboxamide (CID 118317093) is 3-cyclopropyl-N-[(1S,2S)-2-[(5-methylpyrazin-2-yl)amino]cyclopentyl]pyridine-2-carboxamide.
What is the SMILES notation for 3-cyclopropyl-N-[(1S,2S)-2-[(5-methylpyrazin-2-yl)amino]cyclopentyl]pyridine-2-carboxamide?
The canonical SMILES for 3-cyclopropyl-N-[(1S,2S)-2-[(5-methylpyrazin-2-yl)amino]cyclopentyl]pyridine-2-carboxamide is Cc1cnc(N[C@H]2CCC[C@@H]2NC(=O)c2ncccc2C2CC2)cn1.
What is the InChIKey of 3-cyclopropyl-N-[(1S,2S)-2-[(5-methylpyrazin-2-yl)amino]cyclopentyl]pyridine-2-carboxamide?
The InChIKey is NLWKVSAFWUGALR-HOTGVXAUSA-N. The full InChI is InChI=1S/C19H23N5O/c1-12-10-22-17(11-21-12)23-15-5-2-6-16(15)24-19(25)18-14(13-7-8-13)4-3-9-20-18/h3-4,9-11,13,15-16H,2,5-8H2,1H3,(H,22,23)(H,24,25)/t15-,16-/m0/s1.
What are the key properties of 3-cyclopropyl-N-[(1S,2S)-2-[(5-methylpyrazin-2-yl)amino]cyclopentyl]pyridine-2-carboxamide?
3-cyclopropyl-N-[(1S,2S)-2-[(5-methylpyrazin-2-yl)amino]cyclopentyl]pyridine-2-carboxamide has a molecular weight of 337.43 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-[(1S,2S)-2-[(5-methylpyrazin-2-yl)amino]cyclopentyl]pyridine-2-carboxamide is sourced from PubChem (CID 118317093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).