N-[4-[1-[(2-methylpyrazol-3-yl)methyl]piperidin-3-yl]-2-pyridinyl]pyrimidin-2-amine

C19H23N7 — CID 110111793

IUPACN-[4-[1-[(2-methylpyrazol-3-yl)methyl]piperidin-3-yl]-2-pyridinyl]pyrimidin-2-amine
SMILESCn1nccc1CN1CCCC(c2ccnc(Nc3ncccn3)c2)C1
InChIInChI=1S/C19H23N7/c1-25-17(6-10-23-25)14-26-11-2-4-16(13-26)15-5-9-20-18(12-15)24-19-21-7-3-8-22-19/h3,5-10,12,16H,2,4,11,13-14H2,1H3,(H,20,21,22,24)
InChIKeyLIYIYECJMNIVHA-UHFFFAOYSA-N
MW349.44 g/mol
LogP2.73
Rot. Bonds5

About N-[4-[1-[(2-methylpyrazol-3-yl)methyl]piperidin-3-yl]-2-pyridinyl]pyrimidin-2-amine

N-[4-[1-[(2-methylpyrazol-3-yl)methyl]piperidin-3-yl]-2-pyridinyl]pyrimidin-2-amine (PubChem CID 110111793) has the molecular formula C19H23N7 and a molecular weight of 349.44 g/mol. Its IUPAC name is N-[4-[1-[(2-methylpyrazol-3-yl)methyl]piperidin-3-yl]-2-pyridinyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[4-[1-[(2-methylpyrazol-3-yl)methyl]piperidin-3-yl]-2-pyridinyl]pyrimidin-2-amine
PubChem CID110111793
Molecular FormulaC19H23N7
Molecular Weight349.44 g/mol
Exact Mass349.20
IUPAC NameN-[4-[1-[(2-methylpyrazol-3-yl)methyl]piperidin-3-yl]-2-pyridinyl]pyrimidin-2-amine
SMILESCn1nccc1CN1CCCC(c2ccnc(Nc3ncccn3)c2)C1
InChIInChI=1S/C19H23N7/c1-25-17(6-10-23-25)14-26-11-2-4-16(13-26)15-5-9-20-18(12-15)24-19-21-7-3-8-22-19/h3,5-10,12,16H,2,4,11,13-14H2,1H3,(H,20,21,22,24)
InChIKeyLIYIYECJMNIVHA-UHFFFAOYSA-N
XLogP2.73
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-[1-[(3-methyl-2-pyridinyl)methyl]piperidin-3-yl]-2-pyridinyl]pyrimidin-2-amine
CID 110111774
N-[4-[1-[(3-methyl-4-pyridinyl)methyl]piperidin-3-yl]-2-pyridinyl]pyrimidin-2-amine
CID 110111841
N-[4-[1-[(5-fluoro-2-pyridinyl)methyl]piperidin-3-yl]-2-pyridinyl]pyrimidin-2-amine
CID 110111622
3-methyl-N-[4-[(3R)-1-[(3-methylimidazol-4-yl)methyl]piperidin-3-yl]-2-pyridinyl]pyridin-2-amine
CID 124950083
N-[4-[1-[(3-methylimidazol-4-yl)methyl]piperidin-4-yl]-2-pyridinyl]pyrimidin-2-amine
CID 110097766
3-methyl-1-[(2-methylpyrazol-3-yl)methyl]piperidine
CID 129199078
N-[4-[1-[(3-methyl-2-pyridinyl)methyl]piperidin-3-yl]-2-pyridinyl]pyrazin-2-amine
CID 110111773
N-methyl-4-[(3S)-1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]pyridin-2-amine
CID 124997573
1-[(2-methylpyrazol-3-yl)methyl]-3-(1H-pyrazol-5-yl)piperidine
CID 134696298
N-methyl-4-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]pyridin-2-amine
CID 124983076
N-methyl-2-[(3S)-3-[2-(pyridin-2-ylamino)-4-pyridinyl]piperidin-1-yl]acetamide
CID 124991618
[1-[(2-methylpyrazol-3-yl)methyl]piperidin-3-yl]methanol
CID 110225897

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-[(2-methylpyrazol-3-yl)methyl]piperidin-3-yl]-2-pyridinyl]pyrimidin-2-amine?
The IUPAC name of N-[4-[1-[(2-methylpyrazol-3-yl)methyl]piperidin-3-yl]-2-pyridinyl]pyrimidin-2-amine (CID 110111793) is N-[4-[1-[(2-methylpyrazol-3-yl)methyl]piperidin-3-yl]-2-pyridinyl]pyrimidin-2-amine.
What is the SMILES notation for N-[4-[1-[(2-methylpyrazol-3-yl)methyl]piperidin-3-yl]-2-pyridinyl]pyrimidin-2-amine?
The canonical SMILES for N-[4-[1-[(2-methylpyrazol-3-yl)methyl]piperidin-3-yl]-2-pyridinyl]pyrimidin-2-amine is Cn1nccc1CN1CCCC(c2ccnc(Nc3ncccn3)c2)C1.
What is the InChIKey of N-[4-[1-[(2-methylpyrazol-3-yl)methyl]piperidin-3-yl]-2-pyridinyl]pyrimidin-2-amine?
The InChIKey is LIYIYECJMNIVHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N7/c1-25-17(6-10-23-25)14-26-11-2-4-16(13-26)15-5-9-20-18(12-15)24-19-21-7-3-8-22-19/h3,5-10,12,16H,2,4,11,13-14H2,1H3,(H,20,21,22,24).
What are the key properties of N-[4-[1-[(2-methylpyrazol-3-yl)methyl]piperidin-3-yl]-2-pyridinyl]pyrimidin-2-amine?
N-[4-[1-[(2-methylpyrazol-3-yl)methyl]piperidin-3-yl]-2-pyridinyl]pyrimidin-2-amine has a molecular weight of 349.44 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-[(2-methylpyrazol-3-yl)methyl]piperidin-3-yl]-2-pyridinyl]pyrimidin-2-amine is sourced from PubChem (CID 110111793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).