N-[5-[6-cyano-5-[[(2S)-1-[cyclopropylmethyl(methyl)amino]-1-oxopropan-2-yl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide

C22H25N7O2 — CID 121279841

IUPACN-[5-[6-cyano-5-[[(2S)-1-[cyclopropylmethyl(methyl)amino]-1-oxopropan-2-yl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide
SMILESC[C@H](Nc1cc(-c2cnc(NC(=O)C3CC3)cn2)cnc1C#N)C(=O)N(C)CC1CC1
InChIInChI=1S/C22H25N7O2/c1-13(22(31)29(2)12-14-3-4-14)27-17-7-16(9-24-18(17)8-23)19-10-26-20(11-25-19)28-21(30)15-5-6-15/h7,9-11,13-15,27H,3-6,12H2,1-2H3,(H,26,28,30)/t13-/m0/s1
InChIKeyWLXRMJYMODRNGP-ZDUSSCGKSA-N
MW419.49 g/mol
LogP2.43
Rot. Bonds8

About N-[5-[6-cyano-5-[[(2S)-1-[cyclopropylmethyl(methyl)amino]-1-oxopropan-2-yl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide

N-[5-[6-cyano-5-[[(2S)-1-[cyclopropylmethyl(methyl)amino]-1-oxopropan-2-yl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide (PubChem CID 121279841) has the molecular formula C22H25N7O2 and a molecular weight of 419.49 g/mol. Its IUPAC name is N-[5-[6-cyano-5-[[(2S)-1-[cyclopropylmethyl(methyl)amino]-1-oxopropan-2-yl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-[6-cyano-5-[[(2S)-1-[cyclopropylmethyl(methyl)amino]-1-oxopropan-2-yl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide
PubChem CID121279841
Molecular FormulaC22H25N7O2
Molecular Weight419.49 g/mol
Exact Mass419.21
IUPAC NameN-[5-[6-cyano-5-[[(2S)-1-[cyclopropylmethyl(methyl)amino]-1-oxopropan-2-yl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide
SMILESC[C@H](Nc1cc(-c2cnc(NC(=O)C3CC3)cn2)cnc1C#N)C(=O)N(C)CC1CC1
InChIInChI=1S/C22H25N7O2/c1-13(22(31)29(2)12-14-3-4-14)27-17-7-16(9-24-18(17)8-23)19-10-26-20(11-25-19)28-21(30)15-5-6-15/h7,9-11,13-15,27H,3-6,12H2,1-2H3,(H,26,28,30)/t13-/m0/s1
InChIKeyWLXRMJYMODRNGP-ZDUSSCGKSA-N
XLogP2.43
TPSA123.90 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.49
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-[6-cyano-5-[[(2S)-1-[cyclopropylmethyl(methyl)amino]-1-oxopropan-2-yl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-[6-cyano-5-[[(2S)-1-[cyclopropylmethyl(methyl)amino]-1-oxopropan-2-yl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide (CID 121279841) is N-[5-[6-cyano-5-[[(2S)-1-[cyclopropylmethyl(methyl)amino]-1-oxopropan-2-yl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-[6-cyano-5-[[(2S)-1-[cyclopropylmethyl(methyl)amino]-1-oxopropan-2-yl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-[6-cyano-5-[[(2S)-1-[cyclopropylmethyl(methyl)amino]-1-oxopropan-2-yl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide is C[C@H](Nc1cc(-c2cnc(NC(=O)C3CC3)cn2)cnc1C#N)C(=O)N(C)CC1CC1.
What is the InChIKey of N-[5-[6-cyano-5-[[(2S)-1-[cyclopropylmethyl(methyl)amino]-1-oxopropan-2-yl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide?
The InChIKey is WLXRMJYMODRNGP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C22H25N7O2/c1-13(22(31)29(2)12-14-3-4-14)27-17-7-16(9-24-18(17)8-23)19-10-26-20(11-25-19)28-21(30)15-5-6-15/h7,9-11,13-15,27H,3-6,12H2,1-2H3,(H,26,28,30)/t13-/m0/s1.
What are the key properties of N-[5-[6-cyano-5-[[(2S)-1-[cyclopropylmethyl(methyl)amino]-1-oxopropan-2-yl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide?
N-[5-[6-cyano-5-[[(2S)-1-[cyclopropylmethyl(methyl)amino]-1-oxopropan-2-yl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide has a molecular weight of 419.49 g/mol, XLogP of 2.43, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[6-cyano-5-[[(2S)-1-[cyclopropylmethyl(methyl)amino]-1-oxopropan-2-yl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 121279841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).