8-[[1-(3-aminopropyl)piperidin-4-yl]amino]-5-[5-(hydroxymethyl)-3-pyridinyl]-3-methyl-1H-1,7-naphthyridin-2-one

C23H30N6O2 — CID 156613431

IUPAC8-[[1-(3-aminopropyl)piperidin-4-yl]amino]-5-[5-(hydroxymethyl)-3-pyridinyl]-3-methyl-1H-1,7-naphthyridin-2-one
SMILESCc1cc2c(-c3cncc(CO)c3)cnc(NC3CCN(CCCN)CC3)c2[nH]c1=O
InChIInChI=1S/C23H30N6O2/c1-15-9-19-20(17-10-16(14-30)11-25-12-17)13-26-22(21(19)28-23(15)31)27-18-3-7-29(8-4-18)6-2-5-24/h9-13,18,30H,2-8,14,24H2,1H3,(H,26,27)(H,28,31)
InChIKeyWQPQQRVHJTZSFA-UHFFFAOYSA-N
MW422.53 g/mol
LogP2.01
Rot. Bonds7

About 8-[[1-(3-aminopropyl)piperidin-4-yl]amino]-5-[5-(hydroxymethyl)-3-pyridinyl]-3-methyl-1H-1,7-naphthyridin-2-one

8-[[1-(3-aminopropyl)piperidin-4-yl]amino]-5-[5-(hydroxymethyl)-3-pyridinyl]-3-methyl-1H-1,7-naphthyridin-2-one (PubChem CID 156613431) has the molecular formula C23H30N6O2 and a molecular weight of 422.53 g/mol. Its IUPAC name is 8-[[1-(3-aminopropyl)piperidin-4-yl]amino]-5-[5-(hydroxymethyl)-3-pyridinyl]-3-methyl-1H-1,7-naphthyridin-2-one.

Molecular Properties

Compound Name8-[[1-(3-aminopropyl)piperidin-4-yl]amino]-5-[5-(hydroxymethyl)-3-pyridinyl]-3-methyl-1H-1,7-naphthyridin-2-one
PubChem CID156613431
Molecular FormulaC23H30N6O2
Molecular Weight422.53 g/mol
Exact Mass422.24
IUPAC Name8-[[1-(3-aminopropyl)piperidin-4-yl]amino]-5-[5-(hydroxymethyl)-3-pyridinyl]-3-methyl-1H-1,7-naphthyridin-2-one
SMILESCc1cc2c(-c3cncc(CO)c3)cnc(NC3CCN(CCCN)CC3)c2[nH]c1=O
InChIInChI=1S/C23H30N6O2/c1-15-9-19-20(17-10-16(14-30)11-25-12-17)13-26-22(21(19)28-23(15)31)27-18-3-7-29(8-4-18)6-2-5-24/h9-13,18,30H,2-8,14,24H2,1H3,(H,26,27)(H,28,31)
InChIKeyWQPQQRVHJTZSFA-UHFFFAOYSA-N
XLogP2.01
TPSA120.16 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 52.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-[[1-(3-aminopropyl)piperidin-4-yl]amino]-5-[5-(hydroxymethyl)-3-pyridinyl]-3-methyl-1H-1,7-naphthyridin-2-one?
The IUPAC name of 8-[[1-(3-aminopropyl)piperidin-4-yl]amino]-5-[5-(hydroxymethyl)-3-pyridinyl]-3-methyl-1H-1,7-naphthyridin-2-one (CID 156613431) is 8-[[1-(3-aminopropyl)piperidin-4-yl]amino]-5-[5-(hydroxymethyl)-3-pyridinyl]-3-methyl-1H-1,7-naphthyridin-2-one.
What is the SMILES notation for 8-[[1-(3-aminopropyl)piperidin-4-yl]amino]-5-[5-(hydroxymethyl)-3-pyridinyl]-3-methyl-1H-1,7-naphthyridin-2-one?
The canonical SMILES for 8-[[1-(3-aminopropyl)piperidin-4-yl]amino]-5-[5-(hydroxymethyl)-3-pyridinyl]-3-methyl-1H-1,7-naphthyridin-2-one is Cc1cc2c(-c3cncc(CO)c3)cnc(NC3CCN(CCCN)CC3)c2[nH]c1=O.
What is the InChIKey of 8-[[1-(3-aminopropyl)piperidin-4-yl]amino]-5-[5-(hydroxymethyl)-3-pyridinyl]-3-methyl-1H-1,7-naphthyridin-2-one?
The InChIKey is WQPQQRVHJTZSFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N6O2/c1-15-9-19-20(17-10-16(14-30)11-25-12-17)13-26-22(21(19)28-23(15)31)27-18-3-7-29(8-4-18)6-2-5-24/h9-13,18,30H,2-8,14,24H2,1H3,(H,26,27)(H,28,31).
What are the key properties of 8-[[1-(3-aminopropyl)piperidin-4-yl]amino]-5-[5-(hydroxymethyl)-3-pyridinyl]-3-methyl-1H-1,7-naphthyridin-2-one?
8-[[1-(3-aminopropyl)piperidin-4-yl]amino]-5-[5-(hydroxymethyl)-3-pyridinyl]-3-methyl-1H-1,7-naphthyridin-2-one has a molecular weight of 422.53 g/mol, XLogP of 2.01, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[1-(3-aminopropyl)piperidin-4-yl]amino]-5-[5-(hydroxymethyl)-3-pyridinyl]-3-methyl-1H-1,7-naphthyridin-2-one is sourced from PubChem (CID 156613431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).