4-[4-[(5-acetamido-2-methoxy-4-pyridinyl)amino]phenyl]piperazine-1-carboxylic acid

C19H23N5O4 — CID 121451957

IUPAC4-[4-[(5-acetamido-2-methoxy-4-pyridinyl)amino]phenyl]piperazine-1-carboxylic acid
SMILESCOc1cc(Nc2ccc(N3CCN(C(=O)O)CC3)cc2)c(NC(C)=O)cn1
InChIInChI=1S/C19H23N5O4/c1-13(25)21-17-12-20-18(28-2)11-16(17)22-14-3-5-15(6-4-14)23-7-9-24(10-8-23)19(26)27/h3-6,11-12H,7-10H2,1-2H3,(H,20,22)(H,21,25)(H,26,27)
InChIKeyDWLGGRDJJYCQLP-UHFFFAOYSA-N
MW385.42 g/mol
LogP2.59
Rot. Bonds5

About 4-[4-[(5-acetamido-2-methoxy-4-pyridinyl)amino]phenyl]piperazine-1-carboxylic acid

4-[4-[(5-acetamido-2-methoxy-4-pyridinyl)amino]phenyl]piperazine-1-carboxylic acid (PubChem CID 121451957) has the molecular formula C19H23N5O4 and a molecular weight of 385.42 g/mol. Its IUPAC name is 4-[4-[(5-acetamido-2-methoxy-4-pyridinyl)amino]phenyl]piperazine-1-carboxylic acid.

Molecular Properties

Compound Name4-[4-[(5-acetamido-2-methoxy-4-pyridinyl)amino]phenyl]piperazine-1-carboxylic acid
PubChem CID121451957
Molecular FormulaC19H23N5O4
Molecular Weight385.42 g/mol
Exact Mass385.18
IUPAC Name4-[4-[(5-acetamido-2-methoxy-4-pyridinyl)amino]phenyl]piperazine-1-carboxylic acid
SMILESCOc1cc(Nc2ccc(N3CCN(C(=O)O)CC3)cc2)c(NC(C)=O)cn1
InChIInChI=1S/C19H23N5O4/c1-13(25)21-17-12-20-18(28-2)11-16(17)22-14-3-5-15(6-4-14)23-7-9-24(10-8-23)19(26)27/h3-6,11-12H,7-10H2,1-2H3,(H,20,22)(H,21,25)(H,26,27)
InChIKeyDWLGGRDJJYCQLP-UHFFFAOYSA-N
XLogP2.59
TPSA107.03 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[6-methoxy-4-[4-[3-(oxolan-2-ylmethoxy)azetidin-1-yl]anilino]-3-pyridinyl]acetamide
CID 121460818
methyl 4-(4-acetamidophenyl)piperazine-1-carboxylate
CID 113078316
N-[4-(4-acetylpiperazin-1-yl)phenyl]acetamide
CID 2889550
[5-(2-methoxyanilino)-2-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
CID 109193419
[2-(4-methoxyanilino)pyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109261137
N-[4-chloro-3-[[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]amino]phenyl]acetamide
CID 56514662
4-(3-amino-4-methoxyphenyl)piperazine-1-carboxylic acid
CID 123559736
N-(4-acetamidophenyl)-4-(3,5-dimethylphenyl)piperazine-1-carboxamide
CID 113111755
(5-anilinopyrazin-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 109289416
N-[4-[4-(4-methylphenyl)piperazine-1-carbonyl]phenyl]acetamide
CID 71822640
4-(3,5-dimethylphenyl)-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 113111740
[5-(2-methoxyanilino)-3-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
CID 109237540

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(5-acetamido-2-methoxy-4-pyridinyl)amino]phenyl]piperazine-1-carboxylic acid?
The IUPAC name of 4-[4-[(5-acetamido-2-methoxy-4-pyridinyl)amino]phenyl]piperazine-1-carboxylic acid (CID 121451957) is 4-[4-[(5-acetamido-2-methoxy-4-pyridinyl)amino]phenyl]piperazine-1-carboxylic acid.
What is the SMILES notation for 4-[4-[(5-acetamido-2-methoxy-4-pyridinyl)amino]phenyl]piperazine-1-carboxylic acid?
The canonical SMILES for 4-[4-[(5-acetamido-2-methoxy-4-pyridinyl)amino]phenyl]piperazine-1-carboxylic acid is COc1cc(Nc2ccc(N3CCN(C(=O)O)CC3)cc2)c(NC(C)=O)cn1.
What is the InChIKey of 4-[4-[(5-acetamido-2-methoxy-4-pyridinyl)amino]phenyl]piperazine-1-carboxylic acid?
The InChIKey is DWLGGRDJJYCQLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O4/c1-13(25)21-17-12-20-18(28-2)11-16(17)22-14-3-5-15(6-4-14)23-7-9-24(10-8-23)19(26)27/h3-6,11-12H,7-10H2,1-2H3,(H,20,22)(H,21,25)(H,26,27).
What are the key properties of 4-[4-[(5-acetamido-2-methoxy-4-pyridinyl)amino]phenyl]piperazine-1-carboxylic acid?
4-[4-[(5-acetamido-2-methoxy-4-pyridinyl)amino]phenyl]piperazine-1-carboxylic acid has a molecular weight of 385.42 g/mol, XLogP of 2.59, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(5-acetamido-2-methoxy-4-pyridinyl)amino]phenyl]piperazine-1-carboxylic acid is sourced from PubChem (CID 121451957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).