N-[4-[2-(oxan-4-ylmethylamino)pyrimidin-4-yl]pyrimidin-2-yl]piperidine-3-carboxamide

C20H27N7O2 — CID 123845961

IUPACN-[4-[2-(oxan-4-ylmethylamino)pyrimidin-4-yl]pyrimidin-2-yl]piperidine-3-carboxamide
SMILESO=C(Nc1nccc(-c2ccnc(NCC3CCOCC3)n2)n1)C1CCCNC1
InChIInChI=1S/C20H27N7O2/c28-18(15-2-1-7-21-13-15)27-20-23-9-4-17(26-20)16-3-8-22-19(25-16)24-12-14-5-10-29-11-6-14/h3-4,8-9,14-15,21H,1-2,5-7,10-13H2,(H,22,24,25)(H,23,26,27,28)
InChIKeyUBAXVAGZIGBCQJ-UHFFFAOYSA-N
MW397.48 g/mol
LogP1.71
Rot. Bonds6

About N-[4-[2-(oxan-4-ylmethylamino)pyrimidin-4-yl]pyrimidin-2-yl]piperidine-3-carboxamide

N-[4-[2-(oxan-4-ylmethylamino)pyrimidin-4-yl]pyrimidin-2-yl]piperidine-3-carboxamide (PubChem CID 123845961) has the molecular formula C20H27N7O2 and a molecular weight of 397.48 g/mol. Its IUPAC name is N-[4-[2-(oxan-4-ylmethylamino)pyrimidin-4-yl]pyrimidin-2-yl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[2-(oxan-4-ylmethylamino)pyrimidin-4-yl]pyrimidin-2-yl]piperidine-3-carboxamide
PubChem CID123845961
Molecular FormulaC20H27N7O2
Molecular Weight397.48 g/mol
Exact Mass397.22
IUPAC NameN-[4-[2-(oxan-4-ylmethylamino)pyrimidin-4-yl]pyrimidin-2-yl]piperidine-3-carboxamide
SMILESO=C(Nc1nccc(-c2ccnc(NCC3CCOCC3)n2)n1)C1CCCNC1
InChIInChI=1S/C20H27N7O2/c28-18(15-2-1-7-21-13-15)27-20-23-9-4-17(26-20)16-3-8-22-19(25-16)24-12-14-5-10-29-11-6-14/h3-4,8-9,14-15,21H,1-2,5-7,10-13H2,(H,22,24,25)(H,23,26,27,28)
InChIKeyUBAXVAGZIGBCQJ-UHFFFAOYSA-N
XLogP1.71
TPSA113.95 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

N-[6-[2-(oxan-4-ylmethylamino)pyrimidin-4-yl]pyrimidin-4-yl]pyrrolidine-3-carboxamide
CID 123708142
N-(oxan-4-ylmethyl)piperidine-3-carboxamide
CID 53410772
(3S)-N-(oxan-4-ylmethyl)piperidine-3-carboxamide
CID 81141151
(3S)-N-[5-chloro-4-[6-(oxan-4-ylmethylamino)pyrazin-2-yl]-2-pyridinyl]piperidine-3-carboxamide
CID 67033459
N-[6-[6-(oxan-4-ylmethylamino)pyrimidin-4-yl]pyrimidin-4-yl]pyrrolidine-3-carboxamide
CID 123306855
N-[5-fluoro-4-[6-(oxan-4-ylmethylamino)pyridazin-4-yl]-2-pyridinyl]piperidine-3-carboxamide
CID 123410226
N-(2-chloro-4-methyl-3-pyridinyl)piperidine-3-carboxamide
CID 65490081
(3S)-N-(1,2-oxazol-3-yl)piperidine-3-carboxamide
CID 81139342
(3R)-N-(1H-imidazol-2-yl)piperidine-3-carboxamide
CID 81139688
N-[6-[4-[[2-[[4-[(2,2-dimethyloxan-4-yl)methylamino]-6-[6-(pyrrolidine-3-carbonylamino)pyrimidin-4-yl]-2-pyridinyl]methyl]-2-methyloxan-4-yl]methylamino]-2-pyridinyl]pyrimidin-4-yl]piperidine-3-carboxamide
CID 123593204
2-(piperidin-3-ylmethylamino)pyrimidine-4-carbonitrile
CID 107552437
(3R)-N-(4,6-dichloropyrimidin-5-yl)piperidine-3-carboxamide
CID 114074295

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(oxan-4-ylmethylamino)pyrimidin-4-yl]pyrimidin-2-yl]piperidine-3-carboxamide?
The IUPAC name of N-[4-[2-(oxan-4-ylmethylamino)pyrimidin-4-yl]pyrimidin-2-yl]piperidine-3-carboxamide (CID 123845961) is N-[4-[2-(oxan-4-ylmethylamino)pyrimidin-4-yl]pyrimidin-2-yl]piperidine-3-carboxamide.
What is the SMILES notation for N-[4-[2-(oxan-4-ylmethylamino)pyrimidin-4-yl]pyrimidin-2-yl]piperidine-3-carboxamide?
The canonical SMILES for N-[4-[2-(oxan-4-ylmethylamino)pyrimidin-4-yl]pyrimidin-2-yl]piperidine-3-carboxamide is O=C(Nc1nccc(-c2ccnc(NCC3CCOCC3)n2)n1)C1CCCNC1.
What is the InChIKey of N-[4-[2-(oxan-4-ylmethylamino)pyrimidin-4-yl]pyrimidin-2-yl]piperidine-3-carboxamide?
The InChIKey is UBAXVAGZIGBCQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N7O2/c28-18(15-2-1-7-21-13-15)27-20-23-9-4-17(26-20)16-3-8-22-19(25-16)24-12-14-5-10-29-11-6-14/h3-4,8-9,14-15,21H,1-2,5-7,10-13H2,(H,22,24,25)(H,23,26,27,28).
What are the key properties of N-[4-[2-(oxan-4-ylmethylamino)pyrimidin-4-yl]pyrimidin-2-yl]piperidine-3-carboxamide?
N-[4-[2-(oxan-4-ylmethylamino)pyrimidin-4-yl]pyrimidin-2-yl]piperidine-3-carboxamide has a molecular weight of 397.48 g/mol, XLogP of 1.71, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(oxan-4-ylmethylamino)pyrimidin-4-yl]pyrimidin-2-yl]piperidine-3-carboxamide is sourced from PubChem (CID 123845961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).