N-[amino-[2-[4-(cyclopentylamino)piperidin-1-yl]-6-methylquinolin-3-yl]methylidene]acetamide

C23H31N5O — CID 118263989

IUPACN-[amino-[2-[4-(cyclopentylamino)piperidin-1-yl]-6-methylquinolin-3-yl]methylidene]acetamide
SMILESCC(=O)/N=C(\N)c1cc2cc(C)ccc2nc1N1CCC(NC2CCCC2)CC1
InChIInChI=1S/C23H31N5O/c1-15-7-8-21-17(13-15)14-20(22(24)25-16(2)29)23(27-21)28-11-9-19(10-12-28)26-18-5-3-4-6-18/h7-8,13-14,18-19,26H,3-6,9-12H2,1-2H3,(H2,24,25,29)
InChIKeySYJNOPOKPQDMQZ-UHFFFAOYSA-N
MW393.54 g/mol
LogP3.30
Rot. Bonds4

About N-[amino-[2-[4-(cyclopentylamino)piperidin-1-yl]-6-methylquinolin-3-yl]methylidene]acetamide

N-[amino-[2-[4-(cyclopentylamino)piperidin-1-yl]-6-methylquinolin-3-yl]methylidene]acetamide (PubChem CID 118263989) has the molecular formula C23H31N5O and a molecular weight of 393.54 g/mol. Its IUPAC name is N-[amino-[2-[4-(cyclopentylamino)piperidin-1-yl]-6-methylquinolin-3-yl]methylidene]acetamide.

Molecular Properties

Compound NameN-[amino-[2-[4-(cyclopentylamino)piperidin-1-yl]-6-methylquinolin-3-yl]methylidene]acetamide
PubChem CID118263989
Molecular FormulaC23H31N5O
Molecular Weight393.54 g/mol
Exact Mass393.25
IUPAC NameN-[amino-[2-[4-(cyclopentylamino)piperidin-1-yl]-6-methylquinolin-3-yl]methylidene]acetamide
SMILESCC(=O)/N=C(\N)c1cc2cc(C)ccc2nc1N1CCC(NC2CCCC2)CC1
InChIInChI=1S/C23H31N5O/c1-15-7-8-21-17(13-15)14-20(22(24)25-16(2)29)23(27-21)28-11-9-19(10-12-28)26-18-5-3-4-6-18/h7-8,13-14,18-19,26H,3-6,9-12H2,1-2H3,(H2,24,25,29)
InChIKeySYJNOPOKPQDMQZ-UHFFFAOYSA-N
XLogP3.30
TPSA83.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.54
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-(1-aminoethylidene)-2-[4-[[(1S,2S)-2-hydroxycyclopentyl]amino]piperidin-1-yl]-6-methylquinoline-3-carboxamide
CID 118264143
N-cyclopentyl-1-[3-(4-iminopent-2-enimidoyl)-6-methylquinolin-2-yl]piperidin-4-amine
CID 123307719
N-cyclopentyl-1-[3-[(Z)-4-iminopent-2-enimidoyl]-6-methylquinolin-2-yl]piperidin-4-amine
CID 118264014
1-[2-[(3S,4R)-4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-6-methylquinolin-3-yl]ethanone
CID 118264059
azane;2-[4-(cyclohexylmethylamino)piperidin-1-yl]-6-methylquinoline-3-carboxamide;ethene;molecular hydrogen
CID 144575824
N-(1-aminoethyl)-6-methyl-2-[4-(oxolan-3-ylamino)piperidin-1-yl]quinoline-3-carboxamide
CID 123963874
6-methyl-2-[4-[(4-methyloxan-4-yl)amino]piperidin-1-yl]quinoline-3-carboxamide
CID 144575495
N-cyclopentyl-1-[6-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]piperidin-4-amine
CID 129252293
2-[4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-N,N,6-trimethylquinoline-3-carboxamide
CID 118263848
N-cyclohexyl-1-(6-methyl-3-pyrimidin-4-ylquinolin-2-yl)piperidin-4-amine
CID 118264097
2-[(3R,4S)-4-(cyclopentylamino)-3-methoxypiperidin-1-yl]-N-ethanimidoyl-6-methylquinoline-3-carboxamide
CID 140681749
6-fluoro-N'-(1-hydroxyethyl)-2-[4-(oxan-4-ylamino)piperidin-1-yl]quinoline-3-carboximidamide
CID 139324479

Frequently Asked Questions

What is the IUPAC name of N-[amino-[2-[4-(cyclopentylamino)piperidin-1-yl]-6-methylquinolin-3-yl]methylidene]acetamide?
The IUPAC name of N-[amino-[2-[4-(cyclopentylamino)piperidin-1-yl]-6-methylquinolin-3-yl]methylidene]acetamide (CID 118263989) is N-[amino-[2-[4-(cyclopentylamino)piperidin-1-yl]-6-methylquinolin-3-yl]methylidene]acetamide.
What is the SMILES notation for N-[amino-[2-[4-(cyclopentylamino)piperidin-1-yl]-6-methylquinolin-3-yl]methylidene]acetamide?
The canonical SMILES for N-[amino-[2-[4-(cyclopentylamino)piperidin-1-yl]-6-methylquinolin-3-yl]methylidene]acetamide is CC(=O)/N=C(\N)c1cc2cc(C)ccc2nc1N1CCC(NC2CCCC2)CC1.
What is the InChIKey of N-[amino-[2-[4-(cyclopentylamino)piperidin-1-yl]-6-methylquinolin-3-yl]methylidene]acetamide?
The InChIKey is SYJNOPOKPQDMQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N5O/c1-15-7-8-21-17(13-15)14-20(22(24)25-16(2)29)23(27-21)28-11-9-19(10-12-28)26-18-5-3-4-6-18/h7-8,13-14,18-19,26H,3-6,9-12H2,1-2H3,(H2,24,25,29).
What are the key properties of N-[amino-[2-[4-(cyclopentylamino)piperidin-1-yl]-6-methylquinolin-3-yl]methylidene]acetamide?
N-[amino-[2-[4-(cyclopentylamino)piperidin-1-yl]-6-methylquinolin-3-yl]methylidene]acetamide has a molecular weight of 393.54 g/mol, XLogP of 3.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[amino-[2-[4-(cyclopentylamino)piperidin-1-yl]-6-methylquinolin-3-yl]methylidene]acetamide is sourced from PubChem (CID 118263989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).