N-[3-[[5-formyl-4-[(2-hydroxy-1-phenylethyl)amino]-2-pyridinyl]amino]phenyl]pyrrolidine-1-carboxamide

C25H27N5O3 — CID 90703579

IUPACN-[3-[[5-formyl-4-[(2-hydroxy-1-phenylethyl)amino]-2-pyridinyl]amino]phenyl]pyrrolidine-1-carboxamide
SMILESO=Cc1cnc(Nc2cccc(NC(=O)N3CCCC3)c2)cc1NC(CO)c1ccccc1
InChIInChI=1S/C25H27N5O3/c31-16-19-15-26-24(14-22(19)29-23(17-32)18-7-2-1-3-8-18)27-20-9-6-10-21(13-20)28-25(33)30-11-4-5-12-30/h1-3,6-10,13-16,23,32H,4-5,11-12,17H2,(H,28,33)(H2,26,27,29)
InChIKeyMNAZEDBUCXOUEM-UHFFFAOYSA-N
MW445.52 g/mol
LogP4.41
Rot. Bonds8

About N-[3-[[5-formyl-4-[(2-hydroxy-1-phenylethyl)amino]-2-pyridinyl]amino]phenyl]pyrrolidine-1-carboxamide

N-[3-[[5-formyl-4-[(2-hydroxy-1-phenylethyl)amino]-2-pyridinyl]amino]phenyl]pyrrolidine-1-carboxamide (PubChem CID 90703579) has the molecular formula C25H27N5O3 and a molecular weight of 445.52 g/mol. Its IUPAC name is N-[3-[[5-formyl-4-[(2-hydroxy-1-phenylethyl)amino]-2-pyridinyl]amino]phenyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[3-[[5-formyl-4-[(2-hydroxy-1-phenylethyl)amino]-2-pyridinyl]amino]phenyl]pyrrolidine-1-carboxamide
PubChem CID90703579
Molecular FormulaC25H27N5O3
Molecular Weight445.52 g/mol
Exact Mass445.21
IUPAC NameN-[3-[[5-formyl-4-[(2-hydroxy-1-phenylethyl)amino]-2-pyridinyl]amino]phenyl]pyrrolidine-1-carboxamide
SMILESO=Cc1cnc(Nc2cccc(NC(=O)N3CCCC3)c2)cc1NC(CO)c1ccccc1
InChIInChI=1S/C25H27N5O3/c31-16-19-15-26-24(14-22(19)29-23(17-32)18-7-2-1-3-8-18)27-20-9-6-10-21(13-20)28-25(33)30-11-4-5-12-30/h1-3,6-10,13-16,23,32H,4-5,11-12,17H2,(H,28,33)(H2,26,27,29)
InChIKeyMNAZEDBUCXOUEM-UHFFFAOYSA-N
XLogP4.41
TPSA106.59 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.52
LogP ≤ 54.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

CID 57748318
CID 57748318
CID 44561384
CID 44561384
CID 137634304
CID 137634304
CID 137634466
CID 137634466
CID 137644862
CID 137644862
CID 137648767
CID 137648767
CID 137651621
CID 137651621
CID 137659999
CID 137659999
CID 57510053
CID 57510053
CID 66959468
CID 66959468
CID 90154628
CID 90154628
CID 145989802
CID 145989802

Frequently Asked Questions

What is the IUPAC name of N-[3-[[5-formyl-4-[(2-hydroxy-1-phenylethyl)amino]-2-pyridinyl]amino]phenyl]pyrrolidine-1-carboxamide?
The IUPAC name of N-[3-[[5-formyl-4-[(2-hydroxy-1-phenylethyl)amino]-2-pyridinyl]amino]phenyl]pyrrolidine-1-carboxamide (CID 90703579) is N-[3-[[5-formyl-4-[(2-hydroxy-1-phenylethyl)amino]-2-pyridinyl]amino]phenyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[3-[[5-formyl-4-[(2-hydroxy-1-phenylethyl)amino]-2-pyridinyl]amino]phenyl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-[3-[[5-formyl-4-[(2-hydroxy-1-phenylethyl)amino]-2-pyridinyl]amino]phenyl]pyrrolidine-1-carboxamide is O=Cc1cnc(Nc2cccc(NC(=O)N3CCCC3)c2)cc1NC(CO)c1ccccc1.
What is the InChIKey of N-[3-[[5-formyl-4-[(2-hydroxy-1-phenylethyl)amino]-2-pyridinyl]amino]phenyl]pyrrolidine-1-carboxamide?
The InChIKey is MNAZEDBUCXOUEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O3/c31-16-19-15-26-24(14-22(19)29-23(17-32)18-7-2-1-3-8-18)27-20-9-6-10-21(13-20)28-25(33)30-11-4-5-12-30/h1-3,6-10,13-16,23,32H,4-5,11-12,17H2,(H,28,33)(H2,26,27,29).
What are the key properties of N-[3-[[5-formyl-4-[(2-hydroxy-1-phenylethyl)amino]-2-pyridinyl]amino]phenyl]pyrrolidine-1-carboxamide?
N-[3-[[5-formyl-4-[(2-hydroxy-1-phenylethyl)amino]-2-pyridinyl]amino]phenyl]pyrrolidine-1-carboxamide has a molecular weight of 445.52 g/mol, XLogP of 4.41, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[5-formyl-4-[(2-hydroxy-1-phenylethyl)amino]-2-pyridinyl]amino]phenyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 90703579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).