N'-[5-amino-6-[methyl-(1-methylpiperidin-4-yl)amino]pyrimidin-4-yl]naphthalene-1-carbohydrazide

C22H27N7O — CID 19151642

IUPACN'-[5-amino-6-[methyl-(1-methylpiperidin-4-yl)amino]pyrimidin-4-yl]naphthalene-1-carbohydrazide
SMILESCN1CCC(N(C)c2ncnc(NNC(=O)c3cccc4ccccc34)c2N)CC1
InChIInChI=1S/C22H27N7O/c1-28-12-10-16(11-13-28)29(2)21-19(23)20(24-14-25-21)26-27-22(30)18-9-5-7-15-6-3-4-8-17(15)18/h3-9,14,16H,10-13,23H2,1-2H3,(H,27,30)(H,24,25,26)
InChIKeyWNFFMQSTSGKFJT-UHFFFAOYSA-N
MW405.51 g/mol
LogP2.50
Rot. Bonds5

About N'-[5-amino-6-[methyl-(1-methylpiperidin-4-yl)amino]pyrimidin-4-yl]naphthalene-1-carbohydrazide

N'-[5-amino-6-[methyl-(1-methylpiperidin-4-yl)amino]pyrimidin-4-yl]naphthalene-1-carbohydrazide (PubChem CID 19151642) has the molecular formula C22H27N7O and a molecular weight of 405.51 g/mol. Its IUPAC name is N'-[5-amino-6-[methyl-(1-methylpiperidin-4-yl)amino]pyrimidin-4-yl]naphthalene-1-carbohydrazide.

Molecular Properties

Compound NameN'-[5-amino-6-[methyl-(1-methylpiperidin-4-yl)amino]pyrimidin-4-yl]naphthalene-1-carbohydrazide
PubChem CID19151642
Molecular FormulaC22H27N7O
Molecular Weight405.51 g/mol
Exact Mass405.23
IUPAC NameN'-[5-amino-6-[methyl-(1-methylpiperidin-4-yl)amino]pyrimidin-4-yl]naphthalene-1-carbohydrazide
SMILESCN1CCC(N(C)c2ncnc(NNC(=O)c3cccc4ccccc34)c2N)CC1
InChIInChI=1S/C22H27N7O/c1-28-12-10-16(11-13-28)29(2)21-19(23)20(24-14-25-21)26-27-22(30)18-9-5-7-15-6-3-4-8-17(15)18/h3-9,14,16H,10-13,23H2,1-2H3,(H,27,30)(H,24,25,26)
InChIKeyWNFFMQSTSGKFJT-UHFFFAOYSA-N
XLogP2.50
TPSA99.41 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.51
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[6-[methyl-(1-methylpiperidin-4-yl)amino]-5-nitropyrimidin-4-yl]naphthalene-1-carbohydrazide
CID 22536366
N'-[5-amino-6-[methyl-(1-methylpiperidin-4-yl)amino]pyrimidin-4-yl]pyridine-4-carbohydrazide
CID 19151861
N'-[5-amino-6-[methyl-(1-methylpiperidin-4-yl)amino]pyrimidin-4-yl]-3-chlorobenzohydrazide
CID 19151567
N'-[5-amino-6-[bis(cyanomethyl)amino]pyrimidin-4-yl]naphthalene-1-carbohydrazide
CID 19141332
1-[3-[[5-amino-6-[methyl-(1-methylpiperidin-4-yl)amino]pyrimidin-4-yl]amino]phenyl]ethanone
CID 22547538
N'-[5-amino-6-(4-chloroanilino)pyrimidin-4-yl]naphthalene-1-carbohydrazide
CID 19148702
N'-[5-amino-6-(3-chloro-4-methylanilino)pyrimidin-4-yl]naphthalene-1-carbohydrazide
CID 22546682
6-N-[(2-chlorophenyl)methyl]-4-N-methyl-4-N-(1-methylpiperidin-4-yl)pyrimidine-4,5,6-triamine
CID 19154041
4-N-methyl-6-N-(4-methylpiperazin-1-yl)-4-N-(1-methylpiperidin-4-yl)pyrimidine-4,5,6-triamine
CID 19144124
6-N-(2-methoxyphenyl)-4-N-methyl-4-N-(1-methylpiperidin-4-yl)pyrimidine-4,5,6-triamine
CID 19148204
N'-[5-amino-6-(naphthalen-1-ylamino)pyrimidin-4-yl]-2-bromobenzohydrazide
CID 19145054
4-N-methyl-6-N-[(4-methylphenyl)methyl]-4-N-(1-methylpiperidin-4-yl)pyrimidine-4,5,6-triamine
CID 19150322

Frequently Asked Questions

What is the IUPAC name of N'-[5-amino-6-[methyl-(1-methylpiperidin-4-yl)amino]pyrimidin-4-yl]naphthalene-1-carbohydrazide?
The IUPAC name of N'-[5-amino-6-[methyl-(1-methylpiperidin-4-yl)amino]pyrimidin-4-yl]naphthalene-1-carbohydrazide (CID 19151642) is N'-[5-amino-6-[methyl-(1-methylpiperidin-4-yl)amino]pyrimidin-4-yl]naphthalene-1-carbohydrazide.
What is the SMILES notation for N'-[5-amino-6-[methyl-(1-methylpiperidin-4-yl)amino]pyrimidin-4-yl]naphthalene-1-carbohydrazide?
The canonical SMILES for N'-[5-amino-6-[methyl-(1-methylpiperidin-4-yl)amino]pyrimidin-4-yl]naphthalene-1-carbohydrazide is CN1CCC(N(C)c2ncnc(NNC(=O)c3cccc4ccccc34)c2N)CC1.
What is the InChIKey of N'-[5-amino-6-[methyl-(1-methylpiperidin-4-yl)amino]pyrimidin-4-yl]naphthalene-1-carbohydrazide?
The InChIKey is WNFFMQSTSGKFJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N7O/c1-28-12-10-16(11-13-28)29(2)21-19(23)20(24-14-25-21)26-27-22(30)18-9-5-7-15-6-3-4-8-17(15)18/h3-9,14,16H,10-13,23H2,1-2H3,(H,27,30)(H,24,25,26).
What are the key properties of N'-[5-amino-6-[methyl-(1-methylpiperidin-4-yl)amino]pyrimidin-4-yl]naphthalene-1-carbohydrazide?
N'-[5-amino-6-[methyl-(1-methylpiperidin-4-yl)amino]pyrimidin-4-yl]naphthalene-1-carbohydrazide has a molecular weight of 405.51 g/mol, XLogP of 2.50, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-amino-6-[methyl-(1-methylpiperidin-4-yl)amino]pyrimidin-4-yl]naphthalene-1-carbohydrazide is sourced from PubChem (CID 19151642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).