4-[2-[[(2S)-butan-2-yl]amino]-5-methyl-4-pyridinyl]-N-(2-hydroxyethyl)-1H-pyrrole-2-carboxamide;chlorobenzene

C₂₃H₂₉ClN₄O₂ — CID 143141626

About 4-[2-[[(2S)-butan-2-yl]amino]-5-methyl-4-pyridinyl]-N-(2-hydroxyethyl)-1H-pyrrole-2-carboxamide;chlorobenzene

4-[2-[[(2S)-butan-2-yl]amino]-5-methyl-4-pyridinyl]-N-(2-hydroxyethyl)-1H-pyrrole-2-carboxamide;chlorobenzene (PubChem CID 143141626) has the molecular formula C₂₃H₂₉ClN₄O₂ and a molecular weight of 428.96 g/mol. Its IUPAC name is 4-[2-[[(2S)-butan-2-yl]amino]-5-methyl-4-pyridinyl]-N-(2-hydroxyethyl)-1H-pyrrole-2-carboxamide;chlorobenzene.

Molecular Properties

• Compound Name: 4-[2-[[(2S)-butan-2-yl]amino]-5-methyl-4-pyridinyl]-N-(2-hydroxyethyl)-1H-pyrrole-2-carboxamide;chlorobenzene
• PubChem CID: 143141626
• Molecular Formula: C₂₃H₂₉ClN₄O₂
• Molecular Weight: 428.96 g/mol
• Exact Mass: 428.20
• IUPAC Name: 4-[2-[[(2S)-butan-2-yl]amino]-5-methyl-4-pyridinyl]-N-(2-hydroxyethyl)-1H-pyrrole-2-carboxamide;chlorobenzene
• SMILES: CC[C@H](C)Nc1cc(-c2c[nH]c(C(=O)NCCO)c2)c(C)cn1.Clc1ccccc1
• InChI: InChI=1S/C17H24N4O2.C6H5Cl/c1-4-12(3)21-16-8-14(11(2)9-20-16)13-7-15(19-10-13)17(23)18-5-6-22;7-6-4-2-1-3-5-6/h7-10,12,19,22H,4-6H2,1-3H3,(H,18,23)(H,20,21);1-5H/t12-;/m0./s1
• InChIKey: SHLFSPJFZGUMAW-YDALLXLXSA-N
• XLogP: 4.66
• TPSA: 90.04 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	428.96
LogP ≤ 5	4.66
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[(2S)-butan-2-yl]amino]-5-methyl-4-pyridinyl]-N-(2-hydroxyethyl)-1H-pyrrole-2-carboxamide;chlorobenzene?

The IUPAC name of 4-[2-[[(2S)-butan-2-yl]amino]-5-methyl-4-pyridinyl]-N-(2-hydroxyethyl)-1H-pyrrole-2-carboxamide;chlorobenzene (CID 143141626) is 4-[2-[[(2S)-butan-2-yl]amino]-5-methyl-4-pyridinyl]-N-(2-hydroxyethyl)-1H-pyrrole-2-carboxamide;chlorobenzene.

What is the SMILES notation for 4-[2-[[(2S)-butan-2-yl]amino]-5-methyl-4-pyridinyl]-N-(2-hydroxyethyl)-1H-pyrrole-2-carboxamide;chlorobenzene?

The canonical SMILES for 4-[2-[[(2S)-butan-2-yl]amino]-5-methyl-4-pyridinyl]-N-(2-hydroxyethyl)-1H-pyrrole-2-carboxamide;chlorobenzene is CC[C@H](C)Nc1cc(-c2c[nH]c(C(=O)NCCO)c2)c(C)cn1.Clc1ccccc1.

What is the InChIKey of 4-[2-[[(2S)-butan-2-yl]amino]-5-methyl-4-pyridinyl]-N-(2-hydroxyethyl)-1H-pyrrole-2-carboxamide;chlorobenzene?

The InChIKey is SHLFSPJFZGUMAW-YDALLXLXSA-N. The full InChI is InChI=1S/C17H24N4O2.C6H5Cl/c1-4-12(3)21-16-8-14(11(2)9-20-16)13-7-15(19-10-13)17(23)18-5-6-22;7-6-4-2-1-3-5-6/h7-10,12,19,22H,4-6H2,1-3H3,(H,18,23)(H,20,21);1-5H/t12-;/m0./s1.

What are the key properties of 4-[2-[[(2S)-butan-2-yl]amino]-5-methyl-4-pyridinyl]-N-(2-hydroxyethyl)-1H-pyrrole-2-carboxamide;chlorobenzene?

4-[2-[[(2S)-butan-2-yl]amino]-5-methyl-4-pyridinyl]-N-(2-hydroxyethyl)-1H-pyrrole-2-carboxamide;chlorobenzene has a molecular weight of 428.96 g/mol, XLogP of 4.66, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-[[(2S)-butan-2-yl]amino]-5-methyl-4-pyridinyl]-N-(2-hydroxyethyl)-1H-pyrrole-2-carboxamide;chlorobenzene is sourced from PubChem (CID 143141626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 143141626 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.