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

C23H29ClN4O2 — CID 143141626

IUPAC4-[2-[[(2S)-butan-2-yl]amino]-5-methyl-4-pyridinyl]-N-(2-hydroxyethyl)-1H-pyrrole-2-carboxamide;chlorobenzene
SMILESCC[C@H](C)Nc1cc(-c2c[nH]c(C(=O)NCCO)c2)c(C)cn1.Clc1ccccc1
InChIInChI=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
InChIKeySHLFSPJFZGUMAW-YDALLXLXSA-N
MW428.96 g/mol
LogP4.66
Rot. Bonds7

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 Name4-[2-[[(2S)-butan-2-yl]amino]-5-methyl-4-pyridinyl]-N-(2-hydroxyethyl)-1H-pyrrole-2-carboxamide;chlorobenzene
PubChem CID143141626
Molecular FormulaC23H29ClN4O2
Molecular Weight428.96 g/mol
Exact Mass428.20
IUPAC Name4-[2-[[(2S)-butan-2-yl]amino]-5-methyl-4-pyridinyl]-N-(2-hydroxyethyl)-1H-pyrrole-2-carboxamide;chlorobenzene
SMILESCC[C@H](C)Nc1cc(-c2c[nH]c(C(=O)NCCO)c2)c(C)cn1.Clc1ccccc1
InChIInChI=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
InChIKeySHLFSPJFZGUMAW-YDALLXLXSA-N
XLogP4.66
TPSA90.04 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.96
LogP ≤ 54.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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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).