N-[4-[[6-[(1-formylcyclopentyl)methylcarbamoylamino]-2-methyl-3-pyridinyl]oxy]-2-pyridinyl]acetamide

C21H25N5O4 — CID 123772910

IUPACN-[4-[[6-[(1-formylcyclopentyl)methylcarbamoylamino]-2-methyl-3-pyridinyl]oxy]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(Oc2ccc(NC(=O)NCC3(C=O)CCCC3)nc2C)ccn1
InChIInChI=1S/C21H25N5O4/c1-14-17(30-16-7-10-22-19(11-16)25-15(2)28)5-6-18(24-14)26-20(29)23-12-21(13-27)8-3-4-9-21/h5-7,10-11,13H,3-4,8-9,12H2,1-2H3,(H,22,25,28)(H2,23,24,26,29)
InChIKeyUHVOUKLEKBSEGA-UHFFFAOYSA-N
MW411.46 g/mol
LogP3.42
Rot. Bonds7

About N-[4-[[6-[(1-formylcyclopentyl)methylcarbamoylamino]-2-methyl-3-pyridinyl]oxy]-2-pyridinyl]acetamide

N-[4-[[6-[(1-formylcyclopentyl)methylcarbamoylamino]-2-methyl-3-pyridinyl]oxy]-2-pyridinyl]acetamide (PubChem CID 123772910) has the molecular formula C21H25N5O4 and a molecular weight of 411.46 g/mol. Its IUPAC name is N-[4-[[6-[(1-formylcyclopentyl)methylcarbamoylamino]-2-methyl-3-pyridinyl]oxy]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[[6-[(1-formylcyclopentyl)methylcarbamoylamino]-2-methyl-3-pyridinyl]oxy]-2-pyridinyl]acetamide
PubChem CID123772910
Molecular FormulaC21H25N5O4
Molecular Weight411.46 g/mol
Exact Mass411.19
IUPAC NameN-[4-[[6-[(1-formylcyclopentyl)methylcarbamoylamino]-2-methyl-3-pyridinyl]oxy]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(Oc2ccc(NC(=O)NCC3(C=O)CCCC3)nc2C)ccn1
InChIInChI=1S/C21H25N5O4/c1-14-17(30-16-7-10-22-19(11-16)25-15(2)28)5-6-18(24-14)26-20(29)23-12-21(13-27)8-3-4-9-21/h5-7,10-11,13H,3-4,8-9,12H2,1-2H3,(H,22,25,28)(H2,23,24,26,29)
InChIKeyUHVOUKLEKBSEGA-UHFFFAOYSA-N
XLogP3.42
TPSA122.31 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.46
LogP ≤ 53.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[4-[[6-[(1-formylcyclopentyl)methylcarbamoylamino]-2-methyl-3-pyridinyl]oxy]-2-pyridinyl]acetamide with MolForge

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Launch Full Analysis

Related Compounds

N-[[5-[(2-acetamido-4-pyridinyl)oxy]-6-methyl-2-pyridinyl]carbamoyl]-2-methoxy-2-methylpropanamide
CID 86272976
N-[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]acetamide
CID 90403222
1-methyl-N-[[6-methyl-5-[[2-[(3E)-penta-1,3-dien-3-yl]-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]cyclopropane-1-carboxamide
CID 163731414
3,3-dimethyl-N-[6-methyl-5-[[2-(methylamino)-4-pyridinyl]oxy]-2-pyridinyl]-2-(oxomethylidene)pyrrolidine-1-carboxamide
CID 176534078
1-[(1-methoxycyclobutyl)methyl]-3-(4-methyl-2-pyridinyl)urea
CID 75520786
N-[5-[[2-(dimethylcarbamoylamino)-4-pyridinyl]oxy]-6-methyl-2-pyridinyl]-8,8-difluoro-1-oxo-2-azaspiro[4.5]decane-2-carboxamide
CID 146267952
N-[4-[(6-iodo-4-methyl-3-pyridinyl)oxy]-2-pyridinyl]acetamide
CID 90427638
N-[2-[[5-[(2-acetamido-4-pyridinyl)oxy]-2-pyridinyl]amino]-2-oxoethyl]cyclopropanecarboxamide
CID 90426519
N-[4-[2-chloro-4-(methylamino)phenoxy]-2-pyridinyl]acetamide
CID 129225585
N-[[5-[(2-acetamido-4-pyridinyl)oxy]-2-pyridinyl]carbamoyl]-2-(oxan-4-yl)acetamide
CID 86272520
2,2-dimethyl-N-[[6-methyl-5-[[2-(2H-triazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]propanamide
CID 90403199
N-[6-methyl-5-[[2-[4-(1-methylpiperidin-4-yl)phenyl]-4-pyridinyl]oxy]-2-pyridinyl]-5-oxo-6-azaspiro[3.4]octane-6-carboxamide
CID 146267980

Frequently Asked Questions

What is the IUPAC name of N-[4-[[6-[(1-formylcyclopentyl)methylcarbamoylamino]-2-methyl-3-pyridinyl]oxy]-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[[6-[(1-formylcyclopentyl)methylcarbamoylamino]-2-methyl-3-pyridinyl]oxy]-2-pyridinyl]acetamide (CID 123772910) is N-[4-[[6-[(1-formylcyclopentyl)methylcarbamoylamino]-2-methyl-3-pyridinyl]oxy]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[[6-[(1-formylcyclopentyl)methylcarbamoylamino]-2-methyl-3-pyridinyl]oxy]-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[[6-[(1-formylcyclopentyl)methylcarbamoylamino]-2-methyl-3-pyridinyl]oxy]-2-pyridinyl]acetamide is CC(=O)Nc1cc(Oc2ccc(NC(=O)NCC3(C=O)CCCC3)nc2C)ccn1.
What is the InChIKey of N-[4-[[6-[(1-formylcyclopentyl)methylcarbamoylamino]-2-methyl-3-pyridinyl]oxy]-2-pyridinyl]acetamide?
The InChIKey is UHVOUKLEKBSEGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O4/c1-14-17(30-16-7-10-22-19(11-16)25-15(2)28)5-6-18(24-14)26-20(29)23-12-21(13-27)8-3-4-9-21/h5-7,10-11,13H,3-4,8-9,12H2,1-2H3,(H,22,25,28)(H2,23,24,26,29).
What are the key properties of N-[4-[[6-[(1-formylcyclopentyl)methylcarbamoylamino]-2-methyl-3-pyridinyl]oxy]-2-pyridinyl]acetamide?
N-[4-[[6-[(1-formylcyclopentyl)methylcarbamoylamino]-2-methyl-3-pyridinyl]oxy]-2-pyridinyl]acetamide has a molecular weight of 411.46 g/mol, XLogP of 3.42, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[6-[(1-formylcyclopentyl)methylcarbamoylamino]-2-methyl-3-pyridinyl]oxy]-2-pyridinyl]acetamide is sourced from PubChem (CID 123772910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).