N-[(1R,2S)-2-[ethyl(pyridin-4-ylmethyl)carbamoyl]cyclopentyl]-5-methylpyrazine-2-carboxamide

C20H25N5O2 — CID 110876714

IUPACN-[(1R,2S)-2-[ethyl(pyridin-4-ylmethyl)carbamoyl]cyclopentyl]-5-methylpyrazine-2-carboxamide
SMILESCCN(Cc1ccncc1)C(=O)[C@H]1CCC[C@H]1NC(=O)c1cnc(C)cn1
InChIInChI=1S/C20H25N5O2/c1-3-25(13-15-7-9-21-10-8-15)20(27)16-5-4-6-17(16)24-19(26)18-12-22-14(2)11-23-18/h7-12,16-17H,3-6,13H2,1-2H3,(H,24,26)/t16-,17+/m0/s1
InChIKeyRZTNUNWEYRWBDY-DLBZAZTESA-N
MW367.45 g/mol
LogP2.13
Rot. Bonds6

About N-[(1R,2S)-2-[ethyl(pyridin-4-ylmethyl)carbamoyl]cyclopentyl]-5-methylpyrazine-2-carboxamide

N-[(1R,2S)-2-[ethyl(pyridin-4-ylmethyl)carbamoyl]cyclopentyl]-5-methylpyrazine-2-carboxamide (PubChem CID 110876714) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is N-[(1R,2S)-2-[ethyl(pyridin-4-ylmethyl)carbamoyl]cyclopentyl]-5-methylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(1R,2S)-2-[ethyl(pyridin-4-ylmethyl)carbamoyl]cyclopentyl]-5-methylpyrazine-2-carboxamide
PubChem CID110876714
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC NameN-[(1R,2S)-2-[ethyl(pyridin-4-ylmethyl)carbamoyl]cyclopentyl]-5-methylpyrazine-2-carboxamide
SMILESCCN(Cc1ccncc1)C(=O)[C@H]1CCC[C@H]1NC(=O)c1cnc(C)cn1
InChIInChI=1S/C20H25N5O2/c1-3-25(13-15-7-9-21-10-8-15)20(27)16-5-4-6-17(16)24-19(26)18-12-22-14(2)11-23-18/h7-12,16-17H,3-6,13H2,1-2H3,(H,24,26)/t16-,17+/m0/s1
InChIKeyRZTNUNWEYRWBDY-DLBZAZTESA-N
XLogP2.13
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-2-[ethyl(pyridin-4-ylmethyl)carbamoyl]cyclopentyl]-5-methylpyrazine-2-carboxamide?
The IUPAC name of N-[(1R,2S)-2-[ethyl(pyridin-4-ylmethyl)carbamoyl]cyclopentyl]-5-methylpyrazine-2-carboxamide (CID 110876714) is N-[(1R,2S)-2-[ethyl(pyridin-4-ylmethyl)carbamoyl]cyclopentyl]-5-methylpyrazine-2-carboxamide.
What is the SMILES notation for N-[(1R,2S)-2-[ethyl(pyridin-4-ylmethyl)carbamoyl]cyclopentyl]-5-methylpyrazine-2-carboxamide?
The canonical SMILES for N-[(1R,2S)-2-[ethyl(pyridin-4-ylmethyl)carbamoyl]cyclopentyl]-5-methylpyrazine-2-carboxamide is CCN(Cc1ccncc1)C(=O)[C@H]1CCC[C@H]1NC(=O)c1cnc(C)cn1.
What is the InChIKey of N-[(1R,2S)-2-[ethyl(pyridin-4-ylmethyl)carbamoyl]cyclopentyl]-5-methylpyrazine-2-carboxamide?
The InChIKey is RZTNUNWEYRWBDY-DLBZAZTESA-N. The full InChI is InChI=1S/C20H25N5O2/c1-3-25(13-15-7-9-21-10-8-15)20(27)16-5-4-6-17(16)24-19(26)18-12-22-14(2)11-23-18/h7-12,16-17H,3-6,13H2,1-2H3,(H,24,26)/t16-,17+/m0/s1.
What are the key properties of N-[(1R,2S)-2-[ethyl(pyridin-4-ylmethyl)carbamoyl]cyclopentyl]-5-methylpyrazine-2-carboxamide?
N-[(1R,2S)-2-[ethyl(pyridin-4-ylmethyl)carbamoyl]cyclopentyl]-5-methylpyrazine-2-carboxamide has a molecular weight of 367.45 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-2-[ethyl(pyridin-4-ylmethyl)carbamoyl]cyclopentyl]-5-methylpyrazine-2-carboxamide is sourced from PubChem (CID 110876714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).