N-[(3Z)-3-(cyclopropylhydrazinylidene)-4-imino-1,2-dimethyl-2H-1,7-naphthyridin-8-yl]cyclopropanecarboxamide;ethane

C19H28N6O — CID 172615707

IUPACN-[(3Z)-3-(cyclopropylhydrazinylidene)-4-imino-1,2-dimethyl-2H-1,7-naphthyridin-8-yl]cyclopropanecarboxamide;ethane
SMILESCC.[H]/N=C1C(=N\NC2CC2)/C(C)N(C)c2c/1ccnc2NC(=O)C1CC1
InChIInChI=1S/C17H22N6O.C2H6/c1-9-14(22-21-11-5-6-11)13(18)12-7-8-19-16(15(12)23(9)2)20-17(24)10-3-4-10;1-2/h7-11,18,21H,3-6H2,1-2H3,(H,19,20,24);1-2H3/b18-13+,22-14-;
InChIKeyIDXIFRSMDBDEDV-XZGMTWHXSA-N
MW356.47 g/mol
LogP2.77
Rot. Bonds4

About N-[(3Z)-3-(cyclopropylhydrazinylidene)-4-imino-1,2-dimethyl-2H-1,7-naphthyridin-8-yl]cyclopropanecarboxamide;ethane

N-[(3Z)-3-(cyclopropylhydrazinylidene)-4-imino-1,2-dimethyl-2H-1,7-naphthyridin-8-yl]cyclopropanecarboxamide;ethane (PubChem CID 172615707) has the molecular formula C19H28N6O and a molecular weight of 356.47 g/mol. Its IUPAC name is N-[(3Z)-3-(cyclopropylhydrazinylidene)-4-imino-1,2-dimethyl-2H-1,7-naphthyridin-8-yl]cyclopropanecarboxamide;ethane.

Molecular Properties

Compound NameN-[(3Z)-3-(cyclopropylhydrazinylidene)-4-imino-1,2-dimethyl-2H-1,7-naphthyridin-8-yl]cyclopropanecarboxamide;ethane
PubChem CID172615707
Molecular FormulaC19H28N6O
Molecular Weight356.47 g/mol
Exact Mass356.23
IUPAC NameN-[(3Z)-3-(cyclopropylhydrazinylidene)-4-imino-1,2-dimethyl-2H-1,7-naphthyridin-8-yl]cyclopropanecarboxamide;ethane
SMILESCC.[H]/N=C1C(=N\NC2CC2)/C(C)N(C)c2c/1ccnc2NC(=O)C1CC1
InChIInChI=1S/C17H22N6O.C2H6/c1-9-14(22-21-11-5-6-11)13(18)12-7-8-19-16(15(12)23(9)2)20-17(24)10-3-4-10;1-2/h7-11,18,21H,3-6H2,1-2H3,(H,19,20,24);1-2H3/b18-13+,22-14-;
InChIKeyIDXIFRSMDBDEDV-XZGMTWHXSA-N
XLogP2.77
TPSA93.47 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(3,5-dimethyl-4H-triazolo[4,5-c][1,7]naphthyridin-6-yl)cyclopropanecarboxamide
CID 170348041
N-[4,5-dimethyl-2-(2-trimethylsilylethoxymethyl)-4H-triazolo[4,5-c][1,7]naphthyridin-6-yl]cyclopropanecarboxamide
CID 172615839
N-[4-amino-3-[amino(methyl)amino]-1-methyl-2H-1,7-naphthyridin-8-yl]cyclopropanecarboxamide
CID 172615863
N-(5,6,9-trimethyl-5H-pyrido[3,2-c][1,7]naphthyridin-7-yl)cyclopropanecarboxamide
CID 177044868
N-(5,6,10-trimethyl-5H-pyrazino[2,3-c][1,7]naphthyridin-7-yl)cyclopropanecarboxamide
CID 177044686
N-[5-propanoyl-4-[[(4S)-2,4,5-trimethyl-4H-triazolo[4,5-c][1,7]naphthyridin-6-yl]amino]-2-pyridinyl]cyclopropanecarboxamide
CID 170600238
N-(3-tert-butyl-2-pyridinyl)cyclopropanecarboxamide
CID 89458374
N-[4-[[(4S)-2,4-dimethyl-5-(trideuteriomethyl)-4H-triazolo[4,5-c][1,7]naphthyridin-6-yl]amino]-5-propanoyl-2-pyridinyl]cyclopropanecarboxamide
CID 171663354
N-(2,4-dimethyl-3-pyridinyl)cyclopropanecarboxamide
CID 130527162
N-(2-chloropyrimidin-4-yl)-4-methylcyclohexane-1-carboxamide
CID 116798469
N-(4,8-dimethyl-2,3,5,8,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),3,5,9,11-pentaen-10-yl)cyclopropanecarboxamide
CID 164903013
4-[(3-chloro-2-pyridinyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 103094698

Frequently Asked Questions

What is the IUPAC name of N-[(3Z)-3-(cyclopropylhydrazinylidene)-4-imino-1,2-dimethyl-2H-1,7-naphthyridin-8-yl]cyclopropanecarboxamide;ethane?
The IUPAC name of N-[(3Z)-3-(cyclopropylhydrazinylidene)-4-imino-1,2-dimethyl-2H-1,7-naphthyridin-8-yl]cyclopropanecarboxamide;ethane (CID 172615707) is N-[(3Z)-3-(cyclopropylhydrazinylidene)-4-imino-1,2-dimethyl-2H-1,7-naphthyridin-8-yl]cyclopropanecarboxamide;ethane.
What is the SMILES notation for N-[(3Z)-3-(cyclopropylhydrazinylidene)-4-imino-1,2-dimethyl-2H-1,7-naphthyridin-8-yl]cyclopropanecarboxamide;ethane?
The canonical SMILES for N-[(3Z)-3-(cyclopropylhydrazinylidene)-4-imino-1,2-dimethyl-2H-1,7-naphthyridin-8-yl]cyclopropanecarboxamide;ethane is CC.[H]/N=C1C(=N\NC2CC2)/C(C)N(C)c2c/1ccnc2NC(=O)C1CC1.
What is the InChIKey of N-[(3Z)-3-(cyclopropylhydrazinylidene)-4-imino-1,2-dimethyl-2H-1,7-naphthyridin-8-yl]cyclopropanecarboxamide;ethane?
The InChIKey is IDXIFRSMDBDEDV-XZGMTWHXSA-N. The full InChI is InChI=1S/C17H22N6O.C2H6/c1-9-14(22-21-11-5-6-11)13(18)12-7-8-19-16(15(12)23(9)2)20-17(24)10-3-4-10;1-2/h7-11,18,21H,3-6H2,1-2H3,(H,19,20,24);1-2H3/b18-13+,22-14-;.
What are the key properties of N-[(3Z)-3-(cyclopropylhydrazinylidene)-4-imino-1,2-dimethyl-2H-1,7-naphthyridin-8-yl]cyclopropanecarboxamide;ethane?
N-[(3Z)-3-(cyclopropylhydrazinylidene)-4-imino-1,2-dimethyl-2H-1,7-naphthyridin-8-yl]cyclopropanecarboxamide;ethane has a molecular weight of 356.47 g/mol, XLogP of 2.77, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3Z)-3-(cyclopropylhydrazinylidene)-4-imino-1,2-dimethyl-2H-1,7-naphthyridin-8-yl]cyclopropanecarboxamide;ethane is sourced from PubChem (CID 172615707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).