N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-[(propan-2-ylamino)methyl]pyridin-2-amine

C15H23N5 — CID 62289751

IUPACN-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-[(propan-2-ylamino)methyl]pyridin-2-amine
SMILESCC(C)NCc1ccnc(N(C)Cc2cnn(C)c2)c1
InChIInChI=1S/C15H23N5/c1-12(2)17-8-13-5-6-16-15(7-13)19(3)10-14-9-18-20(4)11-14/h5-7,9,11-12,17H,8,10H2,1-4H3
InChIKeyIHXUBVWBNFCUBV-UHFFFAOYSA-N
MW273.38 g/mol
LogP1.95
Rot. Bonds6

About N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-[(propan-2-ylamino)methyl]pyridin-2-amine

N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-[(propan-2-ylamino)methyl]pyridin-2-amine (PubChem CID 62289751) has the molecular formula C15H23N5 and a molecular weight of 273.38 g/mol. Its IUPAC name is N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-[(propan-2-ylamino)methyl]pyridin-2-amine.

Molecular Properties

Compound NameN-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-[(propan-2-ylamino)methyl]pyridin-2-amine
PubChem CID62289751
Molecular FormulaC15H23N5
Molecular Weight273.38 g/mol
Exact Mass273.20
IUPAC NameN-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-[(propan-2-ylamino)methyl]pyridin-2-amine
SMILESCC(C)NCc1ccnc(N(C)Cc2cnn(C)c2)c1
InChIInChI=1S/C15H23N5/c1-12(2)17-8-13-5-6-16-15(7-13)19(3)10-14-9-18-20(4)11-14/h5-7,9,11-12,17H,8,10H2,1-4H3
InChIKeyIHXUBVWBNFCUBV-UHFFFAOYSA-N
XLogP1.95
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-4-pyridinyl]methanol
CID 61442010
N-methyl-N-[(2-methylphenyl)methyl]-4-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 62287039
N-butyl-N-methyl-4-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 62285974
N-[[2-(1-methylpyrazol-4-yl)oxy-4-pyridinyl]methyl]propan-2-amine
CID 116793338
N'-methyl-N'-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylethane-1,2-diamine
CID 61442014
N'-methyl-N'-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylpropane-1,3-diamine
CID 61441963
N-[[3-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methyl]propan-2-amine
CID 102999603
N-[[1-[(1-methylpyrazol-4-yl)methyl]imidazol-2-yl]methyl]propan-2-amine
CID 62221815
N-methyl-4-[(2-methylpropylamino)methyl]-N-(pyridin-4-ylmethyl)pyridin-2-amine
CID 62282252
N-[[3-[(1-methylpyrazol-4-yl)methylsulfanyl]phenyl]methyl]propan-2-amine
CID 66349645
5-(ethylaminomethyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazin-2-amine
CID 107379754
N-(cyclobutylmethyl)-N-ethyl-4-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 107401875

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-[(propan-2-ylamino)methyl]pyridin-2-amine?
The IUPAC name of N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-[(propan-2-ylamino)methyl]pyridin-2-amine (CID 62289751) is N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-[(propan-2-ylamino)methyl]pyridin-2-amine.
What is the SMILES notation for N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-[(propan-2-ylamino)methyl]pyridin-2-amine?
The canonical SMILES for N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-[(propan-2-ylamino)methyl]pyridin-2-amine is CC(C)NCc1ccnc(N(C)Cc2cnn(C)c2)c1.
What is the InChIKey of N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-[(propan-2-ylamino)methyl]pyridin-2-amine?
The InChIKey is IHXUBVWBNFCUBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5/c1-12(2)17-8-13-5-6-16-15(7-13)19(3)10-14-9-18-20(4)11-14/h5-7,9,11-12,17H,8,10H2,1-4H3.
What are the key properties of N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-[(propan-2-ylamino)methyl]pyridin-2-amine?
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-[(propan-2-ylamino)methyl]pyridin-2-amine has a molecular weight of 273.38 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-[(propan-2-ylamino)methyl]pyridin-2-amine is sourced from PubChem (CID 62289751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).